error_bar_input.json 94.3 KB
Newer Older
Mohammad-Yasin Arif's avatar
Mohammad-Yasin Arif committed
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025
1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
1097
1098
1099
1100
1101
1102
1103
1104
1105
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
1148
1149
1150
1151
1152
1153
1154
1155
1156
1157
1158
1159
1160
1161
1162
1163
1164
1165
1166
1167
1168
1169
1170
1171
1172
1173
1174
1175
1176
1177
1178
1179
1180
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
1199
1200
1201
1202
1203
1204
1205
1206
1207
1208
1209
1210
1211
1212
1213
1214
1215
1216
1217
1218
1219
1220
1221
1222
1223
1224
1225
1226
1227
1228
1229
1230
1231
1232
1233
1234
1235
1236
1237
1238
1239
1240
1241
1242
1243
1244
1245
1246
1247
1248
1249
1250
1251
1252
1253
1254
1255
1256
1257
1258
1259
1260
1261
1262
1263
1264
1265
1266
1267
1268
1269
1270
1271
1272
1273
1274
1275
1276
1277
1278
1279
1280
1281
1282
1283
1284
1285
1286
1287
1288
1289
1290
1291
1292
1293
1294
1295
1296
1297
1298
1299
1300
1301
1302
1303
1304
1305
1306
1307
1308
1309
1310
1311
1312
1313
1314
1315
1316
1317
1318
1319
1320
1321
1322
1323
1324
1325
1326
1327
1328
1329
1330
1331
1332
1333
1334
1335
1336
1337
1338
1339
1340
1341
1342
1343
1344
1345
1346
1347
1348
1349
1350
1351
1352
1353
1354
1355
1356
1357
1358
1359
1360
1361
1362
1363
1364
1365
1366
1367
1368
1369
1370
1371
1372
1373
1374
1375
1376
1377
1378
1379
1380
1381
1382
1383
1384
1385
1386
1387
1388
1389
1390
1391
1392
1393
1394
1395
1396
1397
1398
1399
1400
1401
1402
1403
1404
1405
1406
1407
1408
1409
1410
1411
1412
1413
1414
1415
1416
1417
1418
1419
1420
1421
1422
1423
1424
1425
1426
1427
1428
1429
1430
1431
1432
1433
1434
1435
1436
1437
1438
1439
1440
1441
1442
1443
1444
1445
1446
1447
1448
1449
1450
1451
1452
1453
1454
1455
1456
1457
1458
1459
1460
1461
1462
1463
1464
1465
1466
1467
1468
1469
1470
1471
1472
1473
1474
1475
1476
1477
1478
1479
1480
1481
1482
1483
1484
1485
1486
1487
1488
1489
1490
1491
1492
1493
1494
1495
1496
1497
1498
1499
1500
1501
1502
1503
1504
1505
1506
1507
1508
1509
1510
1511
1512
1513
1514
1515
1516
1517
1518
1519
1520
1521
1522
1523
1524
1525
1526
1527
1528
1529
1530
1531
1532
{"1": {
 "cell": [[4.16424, 0.0, 0.0], [2.5498615934406874e-16, 4.16424, 0.0], [2.5498615934406874e-16, 2.5498615934406874e-16, 4.16424]],
 "ctime": 16.567895647381015,
 "key_value_pairs": {"category": "monomers_input", "name": "47_Ag"},
 "mtime": 16.85819942114207,
 "numbers": [47, 47, 47, 47],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.5498615934406874e-16, 2.08212, 2.08212], [2.08212, 1.2749307967203437e-16, 2.08212], [2.08212, 2.08212, 0.0]],
 "unique_id": "1acb52a5c79d8a94cfcc5f7ea00256eb",
 "user": "bieniek"},
"2": {
 "cell": [[4.04021, 0.0, 0.0], [2.473915122191564e-16, 4.04021, 0.0], [2.473915122191564e-16, 2.473915122191564e-16, 4.04021]],
 "ctime": 16.56789565231355,
 "key_value_pairs": {"category": "monomers_input", "name": "13_Al"},
 "mtime": 16.85819942117068,
 "numbers": [13, 13, 13, 13],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.473915122191564e-16, 2.020105, 2.020105], [2.020105, 1.236957561095782e-16, 2.020105], [2.020105, 2.020105, 0.0]],
 "unique_id": "dd8719028b8ceb79bad95a34322ec5a2",
 "user": "bieniek"},
"3": {
 "cell": [[5.95059, 0.0, 0.0], [3.6436854982691244e-16, 5.95059, 0.0], [3.6436854982691244e-16, 3.6436854982691244e-16, 5.95059]],
 "ctime": 16.567895659172088,
 "key_value_pairs": {"category": "monomers_input", "name": "18_Ar"},
 "mtime": 16.85819942120925,
 "numbers": [18, 18, 18, 18],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [3.6436854982691244e-16, 2.975295, 2.975295], [2.975295, 1.8218427491345622e-16, 2.975295], [2.975295, 2.975295, 0.0]],
 "unique_id": "e7f23815e4f6c0d49d583effa608de00",
 "user": "bieniek"},
"4": {
 "cell": [[3.82055, 0.0, 0.0], [-1.910274999999999, 3.308693356428637, 0.0], [6.606742921742128e-16, 1.1443214413003417e-15, 10.78963]],
 "ctime": 16.567895666979588,
 "key_value_pairs": {"category": "monomers_input", "name": "33_As"},
 "mtime": 16.858199421257066,
 "numbers": [33, 33, 33, 33, 33, 33],
 "pbc": [true, true, true],
 "positions": [[1.496889743779114e-16, 2.592689089554184e-16, 2.4446064691], [5.109853177963014e-16, 8.8505253234492325e-16, 8.3450235309], [1.9102941027500004, 1.1028867564983584, 6.041113837], [1.91029410275, 1.102886756498358, 1.1519008988], [-1.9102749998576804e-05, 2.2058065999302805, 9.637729101200001], [-1.9102749998876183e-05, 2.20580659993028, 4.748516163000001]],
 "unique_id": "16a81557587bf3a291a974a5bfd1bda5",
 "user": "bieniek"},
"5": {
 "cell": [[4.1741, 0.0, 0.0], [2.5558991021604834e-16, 4.1741, 0.0], [2.5558991021604834e-16, 2.5558991021604834e-16, 4.1741]],
 "ctime": 16.567895672266932,
 "key_value_pairs": {"category": "monomers_input", "name": "79_Au"},
 "mtime": 16.858199421317778,
 "numbers": [79, 79, 79, 79],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.5558991021604834e-16, 2.08705, 2.08705], [2.08705, 1.2779495510802417e-16, 2.08705], [2.08705, 2.08705, 0.0]],
 "unique_id": "7474d59aa33179ff9d34605d90202928",
 "user": "bieniek"},
"6": {
 "cell": [[5.02792, 0.0, 0.0], [3.07871306718448e-16, 5.02792, 0.0], [3.07871306718448e-16, 3.07871306718448e-16, 5.02792]],
 "ctime": 16.567895677214395,
 "key_value_pairs": {"category": "monomers_input", "name": "56_Ba"},
 "mtime": 16.85819942138816,
 "numbers": [56, 56],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.51396, 2.51396, 2.51396]],
 "unique_id": "adedef4a746bd1c1b75efc5824db08c7",
 "user": "bieniek"},
"7": {
 "cell": [[4.90067, 0.0, 0.0], [-2.450334999999999, 4.244104715564285, 0.0], [2.450332590843175, -1.4147001809274191, 4.18412386919122]],
 "ctime": 16.567895682758103,
 "key_value_pairs": {"category": "monomers_input", "name": "05_B"},
 "mtime": 16.85819942146643,
 "numbers": [5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5],
 "pbc": [true, true, true],
 "positions": [[6.477998020862348, -0.9106707574452155, 2.8228191683498562], [-1.5773304300191722, 3.7400752920820817, 1.3613047008413632], [4.900643871312349, 1.8213867711049818, 2.8228191683498562], [2.3719530827248647e-05, 1.0080177635318843, 1.3613047008413632], [3.3232897217623476, -0.9106707574452155, 2.8228191683498562], [1.5773778690808276, 3.7400752920820817, 1.3613047008413632], [3.453232436907933, 0.8356784666863812, 0.30435317024496933], [1.447435153935243, 1.9937260679504851, 3.8797706989462504], [2.450359328107933, 2.5727056446725323, 0.30435317024496933], [2.4503082627352426, 0.2566988899643343, 3.8797706989462504], [1.4474862193079328, 0.8356784666863812, 0.30435317024496933], [3.4531813715352433, 1.9937260679504851, 3.8797706989462504]],
 "unique_id": "6af192b10b3f198075e54677334378d0",
 "user": "bieniek"},
"8": {
 "cell": [[2.26276, 0.0, 0.0], [1.1313800000000003, 1.9596076426672764, 0.0], [2.1879294784206783e-16, 1.2632016733340958e-16, 3.57316]],
 "ctime": 16.567895687869676,
 "key_value_pairs": {"category": "monomers_input", "name": "04_Be"},
 "mtime": 16.858199421558325,
 "numbers": [4, 4],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.1313686862, 0.6531960155302834, 1.78658]],
 "unique_id": "14a9fb8fcbf67fb18956665ea8641f2d",
 "user": "bieniek"},
"9": {
 "cell": [[4.58866, 0.0, 0.0], [-2.294329999999999, 3.9738961293295025, 0.0], [7.459464487988431e-16, 1.2920171490451722e-15, 12.18223]],
 "ctime": 16.567895692855856,
 "key_value_pairs": {"category": "monomers_input", "name": "83_Bi"},
 "mtime": 16.858199421662295,
 "numbers": [83, 83, 83, 83, 83, 83],
 "pbc": [true, true, true],
 "positions": [[1.7435752294224158e-16, 3.0199608841781855e-16, 2.8474744402], [5.715889258566016e-16, 9.900210606273537e-16, 9.334755559800001], [2.2943529433000007, 1.3246187967894039, 6.9081771661], [2.2943529433000003, 1.3246187967894034, 1.2132282857], [-2.294329999851799e-05, 2.649277332540101, 10.969001714300001], [-2.2943299998866705e-05, 2.6492773325401, 5.2740528339]],
 "unique_id": "7182672cfa1fd4912eaf83ec6ef827eb",
 "user": "bieniek"},
"10": {
 "cell": [[8.2286, 0.0, 0.0], [2.588480830251799e-16, 4.22731, 0.0], [5.531258102730922e-16, 5.531258102730922e-16, 9.03323]],
 "ctime": 16.567895698582813,
 "key_value_pairs": {"category": "monomers_input", "name": "35_Br"},
 "mtime": 16.85819942177881,
 "numbers": [35, 35, 35, 35, 35, 35, 35, 35],
 "pbc": [true, true, true],
 "positions": [[5.855811690573778e-16, 1.5883694594000006, 7.974896773199999], [2.439231480016595e-16, 0.5252855406000002, 3.4582817732], [5.680507452966127e-16, 3.7020244594000005, 5.5749482268], [2.263927242408943e-16, 2.6389405406, 1.0583332267999999], [4.114300000000001, 3.7020244594000005, 7.974896773199999], [4.1143, 2.6389405406, 3.4582817732], [4.1143, 1.5883694594000006, 5.5749482268], [4.1143, 0.5252855406000001, 1.0583332267999999]],
 "unique_id": "dcd502987dada3456301d984b39eedf8",
 "user": "bieniek"},
"11": {
 "cell": [[5.52507, 0.0, 0.0], [3.3831296452825337e-16, 5.52507, 0.0], [3.3831296452825337e-16, 3.3831296452825337e-16, 5.52507]],
 "ctime": 16.56789570355851,
 "key_value_pairs": {"category": "monomers_input", "name": "20_Ca"},
 "mtime": 16.858199421905532,
 "numbers": [20, 20, 20, 20],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [3.3831296452825337e-16, 2.762535, 2.762535], [2.762535, 1.6915648226412668e-16, 2.762535], [2.762535, 2.762535, 0.0]],
 "unique_id": "133374a6849af48fdbcec2441d9643ed",
 "user": "bieniek"},
"12": {
 "cell": [[2.46857, 0.0, 0.0], [-1.2342849999999996, 2.137844331020152, 0.0], [5.413422587716965e-16, 9.376322964766768e-16, 8.84079]],
 "ctime": 16.567895708274584,
 "key_value_pairs": {"category": "monomers_input", "name": "06_C"},
 "mtime": 16.85819942204227,
 "numbers": [6, 6, 6, 6],
 "pbc": [true, true, true],
 "positions": [[1.3533556469292411e-16, 2.344080741191692e-16, 2.2101975], [4.0600669407877234e-16, 7.032242223575076e-16, 6.6305925000000006], [-1.2342849999489425e-05, 1.4252366801612049, 2.2101975], [1.2342973428500006, 0.712607650858948, 6.6305925000000006]],
 "unique_id": "4c7dae52e0a50272d18c0f9ed4a0f0d9",
 "user": "bieniek"},
"13": {
 "cell": [[3.03716, 0.0, 0.0], [1.5185800000000005, 2.6302577153579456, 0.0], [3.5334795328138535e-16, 2.0400553594461111e-16, 5.77061]],
 "ctime": 16.567895713869618,
 "key_value_pairs": {"category": "monomers_input", "name": "48_Cd"},
 "mtime": 16.858199422190467,
 "numbers": [48, 48],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.5185648142000006, 0.8767438042602642, 2.885305]],
 "unique_id": "22128c85c48f51601d95e38eaca623dd",
 "user": "bieniek"},
"14": {
 "cell": [[7.77875, 0.0, 0.0], [2.6632455173397447e-16, 4.34941, 0.0], [5.527773982587349e-16, 5.527773982587349e-16, 9.02754]],
 "ctime": 16.567895718866456,
 "key_value_pairs": {"category": "monomers_input", "name": "17_Cl"},
 "mtime": 16.858199422350687,
 "numbers": [17, 17, 17, 17, 17, 17, 17, 17],
 "pbc": [true, true, true],
 "positions": [[6.055382400273915e-16, 1.7781257962000003, 8.1110641392], [2.4455421028524444e-16, 0.39657920380000017, 3.5972941392], [5.745477397074649e-16, 3.9528307962, 5.4302458608], [2.135637099653178e-16, 2.5712842038, 0.9164758608], [3.8893750000000007, 3.9528307962, 8.1110641392], [3.889375, 2.5712842038, 3.5972941392], [3.8893750000000002, 1.7781257962, 5.4302458608], [3.889375, 0.3965792038, 0.9164758608]],
 "unique_id": "af458ca0e65cca83e04624b695867a39",
 "user": "bieniek"},
"15": {
 "cell": [[2.4968, 0.0, 0.0], [1.2484000000000002, 2.1622922281689863, 0.0], [2.468159282235571e-16, 1.4249924260015803e-16, 4.03081]],
 "ctime": 16.56789572344992,
 "key_value_pairs": {"category": "monomers_input", "name": "27_Co"},
 "mtime": 16.858199422528298,
 "numbers": [27, 27],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.2483875160000004, 0.7207568684155683, 2.015405]],
 "unique_id": "3fa1c0f7af2c34271265d61d72257fa9",
 "user": "bieniek"},
"16": {
 "cell": [[2.871, 0.0, 0.0], [1.7579804801760255e-16, 2.871, 0.0], [1.7579804801760255e-16, 1.7579804801760255e-16, 2.871]],
 "ctime": 16.5678957287692,
 "key_value_pairs": {"category": "monomers_input", "name": "24_Cr"},
 "mtime": 16.858199422719185,
 "numbers": [24, 24],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.4355, 1.4355, 1.4355]],
 "unique_id": "b44f42fc97b233bf37ab0b1dc1543789",
 "user": "bieniek"},
"17": {
 "cell": [[6.16153, 0.0, 0.0], [3.7728489961751955e-16, 6.16153, 0.0], [3.7728489961751955e-16, 3.7728489961751955e-16, 6.16153]],
 "ctime": 16.567895732993353,
 "key_value_pairs": {"category": "monomers_input", "name": "55_Cs"},
 "mtime": 16.85819942291353,
 "numbers": [55, 55],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [3.080765, 3.080765, 3.080765]],
 "unique_id": "c7cdbbddf92961e37cad50f48eb88192",
 "user": "bieniek"},
"18": {
 "cell": [[3.63689, 0.0, 0.0], [2.226952848675509e-16, 3.63689, 0.0], [2.226952848675509e-16, 2.226952848675509e-16, 3.63689]],
 "ctime": 16.567895737997127,
 "key_value_pairs": {"category": "monomers_input", "name": "29_Cu"},
 "mtime": 16.85819942311358,
 "numbers": [29, 29, 29, 29],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.226952848675509e-16, 1.8184450000000003, 1.818445], [1.8184450000000003, 1.1134764243377545e-16, 1.818445], [1.8184450000000003, 1.818445, 0.0]],
 "unique_id": "fe3498627a78db68f303ac17532f1761",
 "user": "bieniek"},
"19": {
 "cell": [[6.1631, 0.0, 0.0], [2.256442343598977e-16, 3.68505, 0.0], [-0.8170433945642811, 4.740897630068345e-16, 6.8770648372906065]],
 "ctime": 16.567895743602804,
 "key_value_pairs": {"category": "monomers_input", "name": "09_F"},
 "mtime": 16.8581994233249,
 "numbers": [9, 9, 9, 9, 9, 9, 9, 9],
 "pbc": [true, true, true],
 "positions": [[1.4946822052696644, 1.2171720149999998, 0.6473381131341648], [3.851374400166055, 2.4678779850000003, 6.229726724156442], [4.259896097448195, 1.217172015, 2.7911943055111386], [1.086160507987524, 2.4678779850000003, 4.085870531779468], [4.5762322052696645, 3.0596970150000002, 0.6473381131341648], [0.7698244001660546, 0.6253529850000004, 6.229726724156442], [1.1783460974481954, 3.0596970150000002, 2.7911943055111386], [4.167710507987524, 0.6253529850000002, 4.085870531779468]],
 "unique_id": "20067ee207136e0a752ab0695ca42b99",
 "user": "bieniek"},
"20": {
 "cell": [[2.83351, 0.0, 0.0], [1.7350244759260084e-16, 2.83351, 0.0], [1.7350244759260084e-16, 1.7350244759260084e-16, 2.83351]],
 "ctime": 16.567895748650404,
 "key_value_pairs": {"category": "monomers_input", "name": "26_Fe"},
 "mtime": 16.858199423546726,
 "numbers": [26, 26],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.416755, 1.416755, 1.416755]],
 "unique_id": "143817a5725ae471c6b95665022b0771",
 "user": "bieniek"},
"21": {
 "cell": [[4.56689, 0.0, 0.0], [4.747527013914587e-16, 7.7533, 0.0], [2.816552926891006e-16, 2.816552926891006e-16, 4.59978]],
 "ctime": 16.567895753564276,
 "key_value_pairs": {"category": "monomers_input", "name": "31_Ga"},
 "mtime": 16.858199423783052,
 "numbers": [31, 31, 31, 31, 31, 31, 31, 31],
 "pbc": [true, true, true],
 "positions": [[9.713122731800694e-17, 1.2127711860000001, 0.373502136], [6.592767667625523e-16, 6.540528814, 4.226277864], [3.2681358925498263e-16, 2.6638788140000003, 2.6733921360000004], [4.295944048255767e-16, 5.089421186, 1.926387864], [2.2834450000000004, 5.089421186, 0.373502136], [2.2834450000000004, 2.6638788140000007, 4.226277864], [2.2834450000000004, 6.540528814, 2.6733921360000004], [2.283445, 1.2127711860000003, 1.926387864]],
 "unique_id": "d878d7673dd49ee03057e984ffe35775",
 "user": "bieniek"},
"22": {
 "cell": [[4.07419, 0.0, 0.0], [2.0370950000000003, 3.528352039844522, 0.0], [2.0370950000000003, 1.1761173466148407, 3.3265622050499313]],
 "ctime": 16.56789575929139,
 "key_value_pairs": {"category": "monomers_input", "name": "32_Ge"},
 "mtime": 16.85819942404315,
 "numbers": [32, 32],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.0370950000000003, 1.1761173466148407, 0.8316405512624828]],
 "unique_id": "a1df5b7a60d803fc01376c135794cf80",
 "user": "bieniek"},
"23": {
 "cell": [[4.00759, 0.0, 0.0], [-2.0037949999999993, 3.470674747952479, 0.0], [3.063496830705074e-16, 5.306132159607419e-16, 5.00307]],
 "ctime": 16.567895764306538,
 "key_value_pairs": {"category": "monomers_input", "name": "01_H"},
 "mtime": 16.85819942429944,
 "numbers": [1, 1, 1, 1],
 "pbc": [true, true, true],
 "positions": [[-2.003794999944266e-05, 2.313794734217479, 0.8754371886], [2.003815037950001, 1.1568800137350004, 4.1276328114], [2.0038150379500004, 1.1568800137350004, 3.3769721886000004], [-2.0037949999396692e-05, 2.313794734217479, 1.6260978114]],
 "unique_id": "7a0b20aa537a3e2ee292b0b5dd1e4432",
 "user": "bieniek"},
"24": {
 "cell": [[2.92661, 0.0, 0.0], [1.4633050000000003, 2.5345186069695758, 0.0], [2.926373128604545e-16, 1.689542313549121e-16, 4.77913]],
 "ctime": 16.56789576952794,
 "key_value_pairs": {"category": "monomers_input", "name": "02_He"},
 "mtime": 16.858199424568188,
 "numbers": [2, 2],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.4632903669500006, 0.8448310872611688, 2.389565]],
 "unique_id": "da1990f36b1c98cf6d157ad98054379e",
 "user": "bieniek"},
"25": {
 "cell": [[3.20273, 0.0, 0.0], [1.6013650000000004, 2.773645541462535, 0.0], [3.101375156202702e-16, 1.7905797812916473e-16, 5.06493]],
 "ctime": 16.56789577436161,
 "key_value_pairs": {"category": "monomers_input", "name": "72_Hf"},
 "mtime": 16.858199424845427,
 "numbers": [72, 72],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.6013489863500003, 0.9245392683357069, 2.532465]],
 "unique_id": "169a712d8b4643983cc36b59d9c6c973",
 "user": "bieniek"},
"26": {
 "cell": [[4.10305, 0.0, 0.0], [2.5123935246207737e-16, 4.10305, 0.0], [2.1727132419412722e-16, 2.1727132419412722e-16, 3.54831]],
 "ctime": 16.567895779603553,
 "key_value_pairs": {"category": "monomers_input", "name": "80_Hg"},
 "mtime": 16.858199425132298,
 "numbers": [80, 80],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.051525, 2.051525, 1.774155]],
 "unique_id": "c81bb9d3765f65e7c22f499db6451889",
 "user": "bieniek"},
"27": {
 "cell": [[8.57701, 0.0, 0.0], [2.788655472806429e-16, 4.55422, 0.0], [6.235785159812404e-16, 6.235785159812404e-16, 10.18381]],
 "ctime": 16.567895784619964,
 "key_value_pairs": {"category": "monomers_input", "name": "53_I"},
 "mtime": 16.858199425502924,
 "numbers": [53, 53, 53, 53, 53, 53, 53, 53],
 "pbc": [true, true, true],
 "positions": [[6.493923225505204e-16, 1.6581915020000004, 8.947189951699999], [2.7396594667045757e-16, 0.6189184980000002, 3.8552849517], [6.284781165914258e-16, 3.935301502, 6.3285250483], [2.5305174071136284e-16, 2.896028498, 1.2366200482999998], [4.288505000000001, 3.935301502, 8.947189951699999], [4.288505, 2.8960284980000006, 3.8552849517], [4.288505, 1.6581915020000004, 6.3285250483], [4.288505, 0.6189184980000001, 1.2366200482999998]],
 "unique_id": "6011406407dbf1591e01fa9b2788c077",
 "user": "bieniek"},
"28": {
 "cell": [[3.29841, 0.0, 0.0], [2.0196936243878106e-16, 3.29841, 0.0], [3.0999239497457126e-16, 3.0999239497457126e-16, 5.06256]],
 "ctime": 16.56789578981808,
 "key_value_pairs": {"category": "monomers_input", "name": "49_In"},
 "mtime": 16.858199425873803,
 "numbers": [49, 49],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.6492050000000003, 1.6492050000000003, 2.53128]],
 "unique_id": "88f73c23fc17abd968f31f8179e5b159",
 "user": "bieniek"},
"29": {
 "cell": [[3.87675, 0.0, 0.0], [2.3738247392972507e-16, 3.87675, 0.0], [2.3738247392972507e-16, 2.3738247392972507e-16, 3.87675]],
 "ctime": 16.56789579537291,
 "key_value_pairs": {"category": "monomers_input", "name": "77_Ir"},
 "mtime": 16.85819942623574,
 "numbers": [77, 77, 77, 77],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.3738247392972507e-16, 1.9383750000000002, 1.938375], [1.9383750000000002, 1.1869123696486253e-16, 1.938375], [1.9383750000000002, 1.938375, 0.0]],
 "unique_id": "7333837f37890e5126f5c587ce8a43e6",
 "user": "bieniek"},
"30": {
 "cell": [[5.28589, 0.0, 0.0], [3.2366741345725013e-16, 5.28589, 0.0], [3.2366741345725013e-16, 3.2366741345725013e-16, 5.28589]],
 "ctime": 16.56789580061155,
 "key_value_pairs": {"category": "monomers_input", "name": "19_K"},
 "mtime": 16.85819942664452,
 "numbers": [19, 19],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.642945, 2.642945, 2.642945]],
 "unique_id": "e5430236e13b01e5cd3bbe152c6ebad6",
 "user": "bieniek"},
"31": {
 "cell": [[6.4293, 0.0, 0.0], [3.936810832879039e-16, 6.4293, 0.0], [3.936810832879039e-16, 3.936810832879039e-16, 6.4293]],
 "ctime": 16.567895805770085,
 "key_value_pairs": {"category": "monomers_input", "name": "36_Kr"},
 "mtime": 16.858199427063184,
 "numbers": [36, 36, 36, 36],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [3.936810832879039e-16, 3.21465, 3.21465], [3.21465, 1.9684054164395195e-16, 3.21465], [3.21465, 3.21465, 0.0]],
 "unique_id": "8f810a3cd961c193e41817b5bfcc5496",
 "user": "bieniek"},
"32": {
 "cell": [[7.64004, 0.0, 0.0], [7.0211792091593885, 3.0121842099161107, 0.0], [7.0211792091593885, 1.442518855158281, 2.6443133450823844]],
 "ctime": 16.567895810768718,
 "key_value_pairs": {"category": "monomers_input", "name": "03_Li"},
 "mtime": 16.858199427430506,
 "numbers": [3, 3, 3],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [4.818262576518799, 0.9899241151208313, 0.5876193115442074], [16.86413584179998, 3.4647789499535606, 2.056694033538177]],
 "unique_id": "1291ef19d33d513e0ec0c6b5992c2a46",
 "user": "bieniek"},
"33": {
 "cell": [[3.52388, 0.0, 0.0], [1.7619400000000005, 3.0517695998879075, 0.0], [3.355685310513641e-16, 1.9374058173407233e-16, 5.48025]],
 "ctime": 16.56789581635039,
 "key_value_pairs": {"category": "monomers_input", "name": "71_Lu"},
 "mtime": 16.858199427817166,
 "numbers": [71, 71],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.7619223806000004, 1.0172463607306363, 2.740125]],
 "unique_id": "f3ab6dbe0dee1b677d210b19e7813f2c",
 "user": "bieniek"},
"34": {
 "cell": [[3.19405, 0.0, 0.0], [1.5970250000000004, 2.766128440957686, 0.0], [3.1669243761270636e-16, 1.8284246410601475e-16, 5.17198]],
 "ctime": 16.567895821293508,
 "key_value_pairs": {"category": "monomers_input", "name": "12_Mg"},
 "mtime": 16.858199428233895,
 "numbers": [12, 12],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.5970090297500004, 0.9220335932244257, 2.58599]],
 "unique_id": "c8eb06cd923e6ea45efe79a93e7c4f16",
 "user": "bieniek"},
"35": {
 "cell": [[3.59552, 0.0, 0.0], [2.2016210296351458e-16, 3.59552, 0.0], [2.2016210296351458e-16, 2.2016210296351458e-16, 3.59552]],
 "ctime": 16.56789582645277,
 "key_value_pairs": {"category": "monomers_input", "name": "25_Mn"},
 "mtime": 16.858199428634304,
 "numbers": [25, 25, 25, 25],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.2016210296351458e-16, 1.79776, 1.79776], [1.79776, 1.1008105148175729e-16, 1.79776], [1.79776, 1.79776, 0.0]],
 "unique_id": "2927a290ff43f40dd5d8cf26573894fa",
 "user": "bieniek"},
"36": {
 "cell": [[3.1693, 0.0, 0.0], [1.9406365502688532e-16, 3.1693, 0.0], [1.9406365502688532e-16, 1.9406365502688532e-16, 3.1693]],
 "ctime": 16.567895831719337,
 "key_value_pairs": {"category": "monomers_input", "name": "42_Mo"},
 "mtime": 16.85819942905072,
 "numbers": [42, 42],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.58465, 1.58465, 1.58465]],
 "unique_id": "53c2f80a6a0d3425ea1b160627f2f749",
 "user": "bieniek"},
"37": {
 "cell": [[9.41813, 0.0, 0.0], [8.674434153712856, 3.6681555051278734, 0.0], [8.674434153712856, 1.7586878855024715, 3.2190653505616775]],
 "ctime": 16.567895837234513,
 "key_value_pairs": {"category": "monomers_input", "name": "11_Na"},
 "mtime": 16.858199429468083,
 "numbers": [11, 11, 11],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [5.948162363876142, 1.2059531382658752, 0.715340702201816], [20.818835943549573, 4.22089025236447, 2.5037246483598614]],
 "unique_id": "e95aef750e0b72e11b9a7db7db80c055",
 "user": "bieniek"},
"38": {
 "cell": [[3.32239, 0.0, 0.0], [2.0343771395095874e-16, 3.32239, 0.0], [2.0343771395095874e-16, 2.0343771395095874e-16, 3.32239]],
 "ctime": 16.56789584258705,
 "key_value_pairs": {"category": "monomers_input", "name": "41_Nb"},
 "mtime": 16.858199429890963,
 "numbers": [41, 41],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.661195, 1.661195, 1.661195]],
 "unique_id": "57075b5b6e9b3bb38b70f18071f87a0c",
 "user": "bieniek"},
"39": {
 "cell": [[6.19019, 0.0, 0.0], [3.7903981848069775e-16, 6.19019, 0.0], [3.7903981848069775e-16, 3.7903981848069775e-16, 6.19019]],
 "ctime": 16.567895848051972,
 "key_value_pairs": {"category": "monomers_input", "name": "07_N"},
 "mtime": 16.858199430328888,
 "numbers": [7, 7, 7, 7, 7, 7, 7, 7],
 "pbc": [true, true, true],
 "positions": [[0.3212089591, 0.3212089591, 0.3212089591], [5.8689810409000005, 5.8689810409000005, 5.8689810409000005], [2.773886040900001, 5.8689810409000005, 3.4163039591], [3.4163039591, 0.3212089591000002, 2.7738860409000003], [5.8689810409000005, 3.4163039591, 2.7738860409000003], [0.3212089591000004, 2.7738860409000003, 3.4163039591], [3.4163039591000004, 2.773886040900001, 5.8689810409000005], [2.7738860409000003, 3.4163039591, 0.3212089591]],
 "unique_id": "dba0628470ae8850bfdb264aa9045b25",
 "user": "bieniek"},
"40": {
 "cell": [[4.62262, 0.0, 0.0], [2.8305383933372693e-16, 4.62262, 0.0], [2.8305383933372693e-16, 2.8305383933372693e-16, 4.62262]],
 "ctime": 16.56789585350832,
 "key_value_pairs": {"category": "monomers_input", "name": "10_Ne"},
 "mtime": 16.85819943078504,
 "numbers": [10, 10, 10, 10],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.8305383933372693e-16, 2.31131, 2.31131], [2.31131, 1.4152691966686346e-16, 2.31131], [2.31131, 2.31131, 0.0]],
 "unique_id": "44e6b81cd0014ead975ec20c0fe63acd",
 "user": "bieniek"},
"41": {
 "cell": [[3.52414, 0.0, 0.0], [2.1579133853735767e-16, 3.52414, 0.0], [2.1579133853735767e-16, 2.1579133853735767e-16, 3.52414]],
 "ctime": 16.567895858567226,
 "key_value_pairs": {"category": "monomers_input", "name": "28_Ni"},
 "mtime": 16.858199431246387,
 "numbers": [28, 28, 28, 28],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.1579133853735767e-16, 1.76207, 1.76207], [1.76207, 1.0789566926867883e-16, 1.76207], [1.76207, 1.76207, 0.0]],
 "unique_id": "d58df602ffc60476f36187b8a93f6278",
 "user": "bieniek"},
"42": {
 "cell": [[4.27163, 0.0, 0.0], [2.618796961764691e-16, 4.27682, 0.0], [1.806668821862107, 1.692958579776697e-16, 4.1993305607574385]],
 "ctime": 16.56789586354235,
 "key_value_pairs": {"category": "monomers_input", "name": "08_O"},
 "mtime": 16.85819943171819,
 "numbers": [8, 8, 8, 8],
 "pbc": [true, true, true],
 "positions": [[4.271004162702515, 2.4830623489584812e-17, 0.6159158133462935], [1.8072946591595918, 1.444652344880849e-16, 3.5834147474111453], [2.1351891627025155, 2.13841, 0.6159158133462935], [3.943109659159592, 2.13841, 3.5834147474111453]],
 "unique_id": "ccaabc6097a36b8a39e0b447bd78cf56",
 "user": "bieniek"},
"43": {
 "cell": [[2.75895, 0.0, 0.0], [1.3794750000000002, 2.389320787771077, 0.0], [2.6678563125385343e-16, 1.540287560203365e-16, 4.35694]],
 "ctime": 16.56789586883087,
 "key_value_pairs": {"category": "monomers_input", "name": "76_Os"},
 "mtime": 16.858199432198397,
 "numbers": [76, 76],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.3794612052500004, 0.7964322981877332, 2.17847]],
 "unique_id": "494cb25fafdd5c5e5573b88b57357640",
 "user": "bieniek"},
"44": {
 "cell": [[5.04386, 0.0, 0.0], [3.088473502173684e-16, 5.04386, 0.0], [3.088473502173684e-16, 3.088473502173684e-16, 5.04386]],
 "ctime": 16.56789587396766,
 "key_value_pairs": {"category": "monomers_input", "name": "82_Pb"},
 "mtime": 16.858199432685726,
 "numbers": [82, 82, 82, 82],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [3.088473502173684e-16, 2.52193, 2.52193], [2.52193, 1.544236751086842e-16, 2.52193], [2.52193, 2.52193, 0.0]],
 "unique_id": "d35f8b57eef1e8f2027767c3fe80fcac",
 "user": "bieniek"},
"45": {
 "cell": [[3.30466, 0.0, 0.0], [6.929627173571324e-16, 11.31694, 0.0], [2.800320233568308e-16, 2.800320233568308e-16, 4.57327]],
 "ctime": 16.56789587904749,
 "key_value_pairs": {"category": "monomers_input", "name": "15_P"},
 "mtime": 16.858199433186396,
 "numbers": [15, 15, 15, 15, 15, 15, 15, 15],
 "pbc": [true, true, true],
 "positions": [[8.925651357958895e-17, 1.0589260758, 0.3987434113], [8.837382271343742e-16, 10.2580139242, 4.1745265887], [4.460728410103568e-16, 4.599543924200001, 2.6853784113], [5.269218997036065e-16, 6.717396075800001, 1.8878915887], [1.6523300000000005, 6.717396075800001, 0.3987434113], [1.6523300000000005, 4.599543924200001, 4.1745265887], [1.652330000000001, 10.2580139242, 2.6853784113], [1.6523300000000003, 1.0589260758000003, 1.8878915887]],
 "unique_id": "1da737e3c7b83585feff778dba8e610d",
 "user": "bieniek"},
"46": {
 "cell": [[3.95315, 0.0, 0.0], [2.4206062470246796e-16, 3.95315, 0.0], [2.4206062470246796e-16, 2.4206062470246796e-16, 3.95315]],
 "ctime": 16.567895884035856,
 "key_value_pairs": {"category": "monomers_input", "name": "46_Pd"},
 "mtime": 16.85819943369822,
 "numbers": [46, 46, 46, 46],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.4206062470246796e-16, 1.9765750000000002, 1.976575], [1.9765750000000002, 1.2103031235123398e-16, 1.976575], [1.9765750000000002, 1.976575, 0.0]],
 "unique_id": "e11b7c918a939678b0d094d73c5bc1e3",
 "user": "bieniek"},
"47": {
 "cell": [[3.34818, 0.0, 0.0], [2.0501689599845927e-16, 3.34818, 0.0], [2.0501689599845927e-16, 2.0501689599845927e-16, 3.34818]],
 "ctime": 16.567895888490664,
 "key_value_pairs": {"category": "monomers_input", "name": "84_Po"},
 "mtime": 16.858199434222215,
 "numbers": [84],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0]],
 "unique_id": "80ed4f5dfacfc595f961fbba518e3c8b",
 "user": "bieniek"},
"48": {
 "cell": [[3.97675, 0.0, 0.0], [2.4350570792546184e-16, 3.97675, 0.0], [2.4350570792546184e-16, 2.4350570792546184e-16, 3.97675]],
 "ctime": 16.567895893846334,
 "key_value_pairs": {"category": "monomers_input", "name": "78_Pt"},
 "mtime": 16.85819943475844,
 "numbers": [78, 78, 78, 78],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.4350570792546184e-16, 1.9883750000000002, 1.988375], [1.9883750000000002, 1.2175285396273092e-16, 1.988375], [1.9883750000000002, 1.988375, 0.0]],
 "unique_id": "619c47463dfca5bcd7074b7054da9bdd",
 "user": "bieniek"},
"49": {
 "cell": [[5.67197, 0.0, 0.0], [3.4730799526799063e-16, 5.67197, 0.0], [3.4730799526799063e-16, 3.4730799526799063e-16, 5.67197]],
 "ctime": 16.56789589904939,
 "key_value_pairs": {"category": "monomers_input", "name": "37_Rb"},
 "mtime": 16.858199435301767,
 "numbers": [37, 37],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.835985, 2.835985, 2.835985]],
 "unique_id": "f78198e9d5700620341885d837cbf5c2",
 "user": "bieniek"},
"50": {
 "cell": [[2.77447, 0.0, 0.0], [1.3872350000000002, 2.4027615020378112, 0.0], [2.743165967452101e-16, 1.5837676097402906e-16, 4.47993]],
 "ctime": 16.567895904937547,
 "key_value_pairs": {"category": "monomers_input", "name": "75_Re"},
 "mtime": 16.858199435856562,
 "numbers": [75, 75],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.3872211276500004, 0.8009124914742638, 2.239965]],
 "unique_id": "4becf6ae9f90f4a77a6ad8bcef059b26",
 "user": "bieniek"},
"51": {
 "cell": [[3.8421, 0.0, 0.0], [2.352607733502023e-16, 3.8421, 0.0], [2.352607733502023e-16, 2.352607733502023e-16, 3.8421]],
 "ctime": 16.567895910272046,
 "key_value_pairs": {"category": "monomers_input", "name": "45_Rh"},
 "mtime": 16.858199436424854,
 "numbers": [45, 45, 45, 45],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.352607733502023e-16, 1.9210500000000001, 1.92105], [1.9210500000000001, 1.1763038667510115e-16, 1.92105], [1.9210500000000001, 1.92105, 0.0]],
 "unique_id": "f0249eb31e7c8f07d3a8a61e69fbbc53",
 "user": "bieniek"},
"52": {
 "cell": [[7.19417, 0.0, 0.0], [4.405158631510957e-16, 7.19417, 0.0], [4.405158631510957e-16, 4.405158631510957e-16, 7.19417]],
 "ctime": 16.567895915638164,
 "key_value_pairs": {"category": "monomers_input", "name": "86_Rn"},
 "mtime": 16.85819943700563,
 "numbers": [86, 86, 86, 86],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [4.405158631510957e-16, 3.597085, 3.597085], [3.597085, 2.2025793157554784e-16, 3.597085], [3.597085, 3.597085, 0.0]],
 "unique_id": "58d822d349a7514b892052e913323486",
 "user": "bieniek"},
"53": {
 "cell": [[2.72661, 0.0, 0.0], [1.3633050000000002, 2.361313526212688, 0.0], [2.6332967798665967e-16, 1.5203346047121538e-16, 4.3005]],
 "ctime": 16.567895920913816,
 "key_value_pairs": {"category": "monomers_input", "name": "44_Ru"},
 "mtime": 16.858199437606057,
 "numbers": [44, 44],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.3632913669500002, 0.7870966376924755, 2.15025]],
 "unique_id": "b3f4dbb6033e77cab82e78174d38a3fd",
 "user": "bieniek"},
"54": {
 "cell": [[4.38047, 0.0, 0.0], [-2.190234999999999, 3.79359830051562, 0.0], [7.028272473242643e-16, 1.217332501309403e-15, 11.47804]],
 "ctime": 16.5678959260208,
 "key_value_pairs": {"category": "monomers_input", "name": "51_Sb"},
 "mtime": 16.85819943821238,
 "numbers": [51, 51, 51, 51, 51, 51],
 "pbc": [true, true, true],
 "positions": [[1.6398365334569733e-16, 2.840280192055099e-16, 2.6780562928], [5.38843593978567e-16, 9.33304482103893e-16, 8.799983707200001], [2.1902569023500007, 1.2645201215108723, 6.504146146400001], [2.1902569023500003, 1.264520121510872, 1.1479187804], [-2.190234999858183e-05, 2.5290781790047494, 10.330121219599999], [-2.1902349998909803e-05, 2.529078179004749, 4.9738938536]],
 "unique_id": "f7a53717db66f3082054ef6a8eac9dc6",
 "user": "bieniek"},
"55": {
 "cell": [[3.32145, 0.0, 0.0], [1.6607250000000005, 2.8764600773998237, 0.0], [3.160764402727353e-16, 1.8248681787596235e-16, 5.16192]],
 "ctime": 16.567895931783433,
 "key_value_pairs": {"category": "monomers_input", "name": "21_Sc"},
 "mtime": 16.85819943883141,
 "numbers": [21, 21],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.6607083927500004, 0.9588104375996834, 2.58096]],
 "unique_id": "1f700cf712fd995949bfc7f5e2d6879f",
 "user": "bieniek"},
"56": {
 "cell": [[2.58153, 0.0, 0.0], [-0.06556818967749964, 2.58069718359253, 0.0], [-0.06556818967749964, -0.06725525075131973, 2.5798206690870575]],
 "ctime": 16.567895936817532,
 "key_value_pairs": {"category": "monomers_input", "name": "16_S"},
 "mtime": 16.858199439455408,
 "numbers": [16],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0]],
 "unique_id": "96e840b25ef5423633766a973f19d6e5",
 "user": "bieniek"},
"57": {
 "cell": [[4.52464, 0.0, 0.0], [-2.262319999999999, 3.9184531829792224, 0.0], [3.092098456699161e-16, 5.35567162900826e-16, 5.04978]],
 "ctime": 16.567895942403982,
 "key_value_pairs": {"category": "monomers_input", "name": "34_Se"},
 "mtime": 16.858199440087464,
 "numbers": [34, 34, 34],
 "pbc": [true, true, true],
 "positions": [[0.9910318992000001, 1.7852060240973235e-16, 1.6832431674000001], [-0.49551594959999956, 0.8582588006679395, 3.3665368326], [1.7668040504000007, 3.0601943823112836, 0.0]],
 "unique_id": "f1e887ffc2bd5e76abcddd84d24d98ef",
 "user": "bieniek"},
"58": {
 "cell": [[3.86709, 0.0, 0.0], [1.9335450000000005, 3.3489981787207648, 0.0], [1.9335450000000005, 1.1163327262402551, 3.1574657631397995]],
 "ctime": 16.567895947452435,
 "key_value_pairs": {"category": "monomers_input", "name": "14_Si"},
 "mtime": 16.85819944073285,
 "numbers": [14, 14],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.9335450000000003, 1.116332726240255, 0.7893664407849499]],
 "unique_id": "1c2602a67d68d1526c409b71745a38f1",
 "user": "bieniek"},
"59": {
 "cell": [[4.70647, 0.0, 0.0], [2.3532350000000006, 4.075922582149347, 0.0], [2.3532350000000006, 1.3586408607164493, 3.8428166632389145]],
 "ctime": 16.567895952465552,
 "key_value_pairs": {"category": "monomers_input", "name": "50_Sn"},
 "mtime": 16.858199441388667,
 "numbers": [50, 50],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.3532350000000006, 1.358640860716449, 0.9607041658097286]],
 "unique_id": "3d226bb0067971501b68f24fa97f80af",
 "user": "bieniek"},
"60": {
 "cell": [[6.01969, 0.0, 0.0], [3.685997045179665e-16, 6.01969, 0.0], [3.685997045179665e-16, 3.685997045179665e-16, 6.01969]],
 "ctime": 16.567895957440616,
 "key_value_pairs": {"category": "monomers_input", "name": "38_Sr"},
 "mtime": 16.85819944207044,
 "numbers": [38, 38, 38, 38],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [3.685997045179665e-16, 3.009845, 3.009845], [3.009845, 1.8429985225898326e-16, 3.009845], [3.009845, 3.009845, 0.0]],
 "unique_id": "6c83cc356190f8c898915ffd9b4e6198",
 "user": "bieniek"},
"61": {
 "cell": [[3.32169, 0.0, 0.0], [2.0339485131298857e-16, 3.32169, 0.0], [2.0339485131298857e-16, 2.0339485131298857e-16, 3.32169]],
 "ctime": 16.567895963370187,
 "key_value_pairs": {"category": "monomers_input", "name": "73_Ta"},
 "mtime": 16.858199443346265,
 "numbers": [73, 73],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.660845, 1.660845, 1.660845]],
 "unique_id": "a12163ea31b51c04ec38a764c22eaed3",
 "user": "bieniek"},
"62": {
 "cell": [[2.76187, 0.0, 0.0], [1.3809350000000002, 2.3918495819501273, 0.0], [2.705887718886056e-16, 1.5622450028957664e-16, 4.41905]],
 "ctime": 16.56789596890774,
 "key_value_pairs": {"category": "monomers_input", "name": "43_Tc"},
 "mtime": 16.85819944402258,
 "numbers": [43, 43],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.3809211906500003, 0.7972752211514361, 2.209525]],
 "unique_id": "b42a1255e05b69e9a2bf4546f98dd878",
 "user": "bieniek"},
"63": {
 "cell": [[4.50788, 0.0, 0.0], [-2.253939999999999, 3.9039385972117957, 0.0], [3.651566100421638e-16, 6.324698013126433e-16, 5.96346]],
 "ctime": 16.5678959747708,
 "key_value_pairs": {"category": "monomers_input", "name": "52_Te"},
 "mtime": 16.858199444722064,
 "numbers": [52, 52, 52],
 "pbc": [true, true, true],
 "positions": [[1.2155949208000003, 2.108211588715434e-16, 1.9878001218000003], [-0.6077974603999996, 1.0527360821241334, 3.9756598782], [1.6461425396000007, 2.851202515087663, 0.0]],
 "unique_id": "d90a37e91c49d13a1dcfaf0501bf3437",
 "user": "bieniek"},
"64": {
 "cell": [[2.93664, 0.0, 0.0], [1.4683200000000003, 2.543204841769534, 0.0], [2.8484855921787734e-16, 1.644573923427185e-16, 4.65193]],
 "ctime": 16.567895979821564,
 "key_value_pairs": {"category": "monomers_input", "name": "22_Ti"},
 "mtime": 16.85819944543099,
 "numbers": [22, 22],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.4683053168000004, 0.8477264699070389, 2.325965]],
 "unique_id": "fdefc642e3f5736a91acac28ae3e7bb3",
 "user": "bieniek"},
"65": {
 "cell": [[3.59255, 0.0, 0.0], [1.7962750000000005, 3.111239564365785, 0.0], [3.454698004224704e-16, 1.9945708227079957e-16, 5.64195]],
 "ctime": 16.56789598487673,
 "key_value_pairs": {"category": "monomers_input", "name": "81_Tl"},
 "mtime": 16.858199446147932,
 "numbers": [81, 81],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.7962570372500004, 1.0370694839900472, 2.820975]],
 "unique_id": "890894397a17b2bd477f6d4038668a0e",
 "user": "bieniek"},
"66": {
 "cell": [[2.99894, 0.0, 0.0], [1.8363211359174817e-16, 2.99894, 0.0], [1.8363211359174817e-16, 1.8363211359174817e-16, 2.99894]],
 "ctime": 16.56789598962887,
 "key_value_pairs": {"category": "monomers_input", "name": "23_V"},
 "mtime": 16.858199446888257,
 "numbers": [23, 23],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.49947, 1.49947, 1.49947]],
 "unique_id": "7a822d88168d3a771dd3808ece11b5a8",
 "user": "bieniek"},
"67": {
 "cell": [[3.18968, 0.0, 0.0], [1.953115701152165e-16, 3.18968, 0.0], [1.953115701152165e-16, 1.953115701152165e-16, 3.18968]],
 "ctime": 16.567895994689106,
 "key_value_pairs": {"category": "monomers_input", "name": "74_W"},
 "mtime": 16.858199447630078,
 "numbers": [74, 74],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.59484, 1.59484, 1.59484]],
 "unique_id": "509647053b4e5046f0712d9ac9b80a02",
 "user": "bieniek"},
"68": {
 "cell": [[7.05482, 0.0, 0.0], [4.319831365780365e-16, 7.05482, 0.0], [4.319831365780365e-16, 4.319831365780365e-16, 7.05482]],
 "ctime": 16.567896000280378,
 "key_value_pairs": {"category": "monomers_input", "name": "54_Xe"},
 "mtime": 16.85819944837782,
 "numbers": [54, 54, 54, 54],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [4.319831365780365e-16, 3.52741, 3.52741], [3.52741, 2.1599156828901826e-16, 3.52741], [3.52741, 3.52741, 0.0]],
 "unique_id": "565b3b96a7b5af4349b43df454897ec8",
 "user": "bieniek"},
"69": {
 "cell": [[3.66051, 0.0, 0.0], [1.8302550000000004, 3.170094650806975, 0.0], [3.474316845947045e-16, 2.0058977662575776e-16, 5.67399]],
 "ctime": 16.56789600555752,
 "key_value_pairs": {"category": "monomers_input", "name": "39_Y"},
 "mtime": 16.858199449137004,
 "numbers": [39, 39],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.8302366974500004, 1.0566876499534892, 2.836995]],
 "unique_id": "dc09906eb8450847eb16d6863c264d37",
 "user": "bieniek"},
"70": {
 "cell": [[2.66169, 0.0, 0.0], [1.3308450000000003, 2.3050911569990022, 0.0], [3.0640479217646905e-16, 1.769028892440757e-16, 5.00397]],
 "ctime": 16.567896012371598,
 "key_value_pairs": {"category": "monomers_input", "name": "30_Zn"},
 "mtime": 16.858199449907506,
 "numbers": [30, 30],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.3308316915500005, 0.7683560353624775, 2.501985]],
 "unique_id": "a9efe380eaacb7dd385ba0cca56f2bb7",
 "user": "bieniek"},
"71": {
 "cell": [[3.23603, 0.0, 0.0], [1.6180150000000004, 2.802484187408557, 0.0], [3.1776706517895824e-16, 1.8346290062066886e-16, 5.18953]],
 "ctime": 16.56789601802152,
 "key_value_pairs": {"category": "monomers_input", "name": "40_Zr"},
 "mtime": 16.858199450685543,
 "numbers": [40, 40],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [1.6179988198500004, 0.9341520541888945, 2.594765]],
 "unique_id": "24d15e344e635c5604f7cb9f4d7aa51e",
 "user": "bieniek"},
"72": {
 "cell": [[4.0831, 0.0, 0.0], [2.500177672799279e-16, 4.0831, 0.0], [2.500177672799279e-16, 2.500177672799279e-16, 4.0831]],
 "ctime": 16.56789922262016,
 "key_value_pairs": {"category": "binaries_input", "name": "01_H"},
 "mtime": 16.858199847340515,
 "numbers": [1, 1, 1, 1, 3, 3, 3, 3],
 "pbc": [true, true, true],
 "positions": [[2.04155, 2.04155, 2.04155], [2.04155, 0.0, 0.0], [1.2500888363996395e-16, 2.04155, 0.0], [1.2500888363996395e-16, 1.2500888363996395e-16, 2.04155], [0.0, 0.0, 0.0], [2.500177672799279e-16, 2.04155, 2.04155], [2.04155, 1.2500888363996395e-16, 2.04155], [2.04155, 2.04155, 0.0]],
 "unique_id": "fd61bcd1178fb6c41cd95b0ded5cf3f4",
 "user": "bieniek"},
"73": {
 "cell": [[4.05, 0.0, 0.0], [2.4799097682733903e-16, 4.05, 0.0], [2.4799097682733903e-16, 2.4799097682733903e-16, 4.05]],
 "ctime": 16.567899230746573,
 "key_value_pairs": {"category": "binaries_input", "name": "03_Li"},
 "mtime": 16.85819984781498,
 "numbers": [9, 9, 9, 9, 3, 3, 3, 3],
 "pbc": [true, true, true],
 "positions": [[2.025, 2.025, 2.025], [2.025, 0.0, 0.0], [1.2399548841366951e-16, 2.025, 0.0], [1.2399548841366951e-16, 1.2399548841366951e-16, 2.025], [0.0, 0.0, 0.0], [2.4799097682733903e-16, 2.025, 2.025], [2.025, 1.2399548841366951e-16, 2.025], [2.025, 2.025, 0.0]],
 "unique_id": "fa41b97e4cee4b57ed624dcbfd7bc5f9",
 "user": "bieniek"},
"74": {
 "cell": [[4.883, 0.0, 0.0], [2.989975160118263e-16, 4.883, 0.0], [2.989975160118263e-16, 2.989975160118263e-16, 4.883]],
 "ctime": 16.567899236645214,
 "key_value_pairs": {"category": "binaries_input", "name": "04_Be"},
 "mtime": 16.858199848300096,
 "numbers": [16, 16, 16, 16, 4, 4, 4, 4],
 "pbc": [true, true, true],
 "positions": [[1.22075, 1.22075, 1.22075], [3.6622500000000007, 3.6622500000000002, 1.22075], [3.6622500000000007, 1.2207500000000002, 3.6622500000000002], [1.2207500000000004, 3.6622500000000007, 3.6622500000000002], [0.0, 0.0, 0.0], [2.989975160118263e-16, 2.4415, 2.4415], [2.4415, 1.4949875800591315e-16, 2.4415], [2.4415, 2.4415, 0.0]],
 "unique_id": "90f3671b01db898f48ee62e71b5946aa",
 "user": "bieniek"},
"75": {
 "cell": [[2.485, 0.0, 0.0], [-1.2424999999999995, 2.15207312840433, 0.0], [3.9739788632331614e-16, 6.883133299324646e-16, 6.49]],
 "ctime": 16.56789924255238,
 "key_value_pairs": {"category": "binaries_input", "name": "05_B"},
 "mtime": 16.858199848761913,
 "numbers": [7, 7, 5, 5],
 "pbc": [true, true, true],
 "positions": [[-7.011523074201538e-16, 1.434715418936221, 4.8675], [1.2425000000000013, 0.7173577094681096, 1.6225], [-8.99851250581812e-16, 1.4347154189362208, 1.6225], [1.2425000000000015, 0.71735770946811, 4.8675]],
 "unique_id": "36e3e9fd1230fea6a8d6fe2310d06c10",
 "user": "bieniek"},
"76": {
 "cell": [[4.334, 0.0, 0.0], [2.6538096137523143e-16, 4.334, 0.0], [2.6538096137523143e-16, 2.6538096137523143e-16, 4.334]],
 "ctime": 16.567899249297003,
 "key_value_pairs": {"category": "binaries_input", "name": "06_C"},
 "mtime": 16.858199849180135,
 "numbers": [6, 6, 6, 6, 22, 22, 22, 22],
 "pbc": [true, true, true],
 "positions": [[2.167, 2.167, 2.167], [2.167, 0.0, 0.0], [1.3269048068761572e-16, 2.167, 0.0], [1.3269048068761572e-16, 1.3269048068761572e-16, 2.167], [0.0, 0.0, 0.0], [2.6538096137523143e-16, 2.167, 2.167], [2.167, 1.3269048068761572e-16, 2.167], [2.167, 2.167, 0.0]],
 "unique_id": "db0c3faec021056716e4a133131411c6",
 "user": "bieniek"},
"77": {
 "cell": [[4.13, 0.0, 0.0], [2.5288956402392843e-16, 4.13, 0.0], [2.5288956402392843e-16, 2.5288956402392843e-16, 4.13]],
 "ctime": 16.567899255665576,
 "key_value_pairs": {"category": "binaries_input", "name": "07_N"},
 "mtime": 16.858199849604343,
 "numbers": [7, 7, 7, 7, 23, 23, 23, 23],
 "pbc": [true, true, true],
 "positions": [[2.065, 2.065, 2.065], [2.065, 0.0, 0.0], [1.2644478201196422e-16, 2.065, 0.0], [1.2644478201196422e-16, 1.2644478201196422e-16, 2.065], [0.0, 0.0, 0.0], [2.5288956402392843e-16, 2.065, 2.065], [2.065, 1.2644478201196422e-16, 2.065], [2.065, 2.065, 0.0]],
 "unique_id": "c337c246a2bc100fb97c77193a44283c",
 "user": "bieniek"},
"78": {
 "cell": [[4.6946, 0.0, 0.0], [2.8746134316385825e-16, 4.6946, 0.0], [2.8746134316385825e-16, 2.8746134316385825e-16, 4.6946]],
 "ctime": 16.567899262553297,
 "key_value_pairs": {"category": "binaries_input", "name": "08_O"},
 "mtime": 16.858199850032545,
 "numbers": [8, 8, 8, 8, 48, 48, 48, 48],
 "pbc": [true, true, true],
 "positions": [[2.3473, 2.3473, 2.3473], [2.3473, 0.0, 0.0], [1.4373067158192912e-16, 2.3473, 0.0], [1.4373067158192912e-16, 1.4373067158192912e-16, 2.3473], [0.0, 0.0, 0.0], [2.8746134316385825e-16, 2.3473, 2.3473], [2.3473, 1.4373067158192912e-16, 2.3473], [2.3473, 2.3473, 0.0]],
 "unique_id": "f0bdaf7db820fa93437ec94224948de9",
 "user": "bieniek"},
"79": {
 "cell": [[4.76, 0.0, 0.0], [2.9146593819707006e-16, 4.76, 0.0], [2.9146593819707006e-16, 2.9146593819707006e-16, 4.76]],
 "ctime": 16.56789926900018,
 "key_value_pairs": {"category": "binaries_input", "name": "09_F"},
 "mtime": 16.858199850472598,
 "numbers": [9, 9, 9, 9, 11, 11, 11, 11],
 "pbc": [true, true, true],
 "positions": [[2.38, 2.38, 2.38], [2.38, 0.0, 0.0], [1.4573296909853503e-16, 2.38, 0.0], [1.4573296909853503e-16, 1.4573296909853503e-16, 2.38], [0.0, 0.0, 0.0], [2.9146593819707006e-16, 2.38, 2.38], [2.38, 1.4573296909853503e-16, 2.38], [2.38, 2.38, 0.0]],
 "unique_id": "46390965e96be2f504251f233b7fa52a",
 "user": "bieniek"},
"80": {
 "cell": [[5.6402, 0.0, 0.0], [3.453626438275451e-16, 5.6402, 0.0], [3.453626438275451e-16, 3.453626438275451e-16, 5.6402]],
 "ctime": 16.567899275615066,
 "key_value_pairs": {"category": "binaries_input", "name": "11_Na"},
 "mtime": 16.8581998509213,
 "numbers": [17, 17, 17, 17, 11, 11, 11, 11],
 "pbc": [true, true, true],
 "positions": [[2.8201, 2.8201, 2.8201], [2.8201, 0.0, 0.0], [1.7268132191377255e-16, 2.8201, 0.0], [1.7268132191377255e-16, 1.7268132191377255e-16, 2.8201], [0.0, 0.0, 0.0], [3.453626438275451e-16, 2.8201, 2.8201], [2.8201, 1.7268132191377255e-16, 2.8201], [2.8201, 2.8201, 0.0]],
 "unique_id": "2b9eea92c6241e6a9f944aae0a2353c1",
 "user": "bieniek"},
"81": {
 "cell": [[4.183, 0.0, 0.0], [2.561348780416689e-16, 4.183, 0.0], [2.561348780416689e-16, 2.561348780416689e-16, 4.183]],
 "ctime": 16.567899282489257,
 "key_value_pairs": {"category": "binaries_input", "name": "12_Mg"},
 "mtime": 16.858199851378558,
 "numbers": [8, 8, 8, 8, 12, 12, 12, 12],
 "pbc": [true, true, true],
 "positions": [[2.0915, 2.0915, 2.0915], [2.0915, 0.0, 0.0], [1.2806743902083446e-16, 2.0915, 0.0], [1.2806743902083446e-16, 1.2806743902083446e-16, 2.0915], [0.0, 0.0, 0.0], [2.561348780416689e-16, 2.0915, 2.0915], [2.0915, 1.2806743902083446e-16, 2.0915], [2.0915, 2.0915, 0.0]],
 "unique_id": "928cbff1d944678aabbd6dfb376a6207",
 "user": "bieniek"},
"82": {
 "cell": [[5.463, 0.0, 0.0], [3.3451227318709955e-16, 5.463, 0.0], [3.3451227318709955e-16, 3.3451227318709955e-16, 5.463]],
 "ctime": 16.567899288288213,
 "key_value_pairs": {"category": "binaries_input", "name": "13_Al"},
 "mtime": 16.858199852251186,
 "numbers": [15, 15, 15, 15, 13, 13, 13, 13],
 "pbc": [true, true, true],
 "positions": [[1.36575, 1.36575, 1.36575], [4.09725, 4.09725, 1.36575], [4.09725, 1.3657500000000002, 4.09725], [1.3657500000000005, 4.09725, 4.09725], [0.0, 0.0, 0.0], [3.3451227318709955e-16, 2.7315, 2.7315], [2.7315, 1.6725613659354977e-16, 2.7315], [2.7315, 2.7315, 0.0]],
 "unique_id": "75ed2a2576c2707f2c24525207a185e2",
 "user": "bieniek"},
"83": {
 "cell": [[4.3591, 0.0, 0.0], [2.6691789310816136e-16, 4.3591, 0.0], [2.6691789310816136e-16, 2.6691789310816136e-16, 4.3591]],
 "ctime": 16.56789929453273,
 "key_value_pairs": {"category": "binaries_input", "name": "14_Si"},
 "mtime": 16.85819985270841,
 "numbers": [6, 6, 6, 6, 14, 14, 14, 14],
 "pbc": [true, true, true],
 "positions": [[1.089775, 1.089775, 1.089775], [3.269325, 3.269325, 1.089775], [3.269325, 1.0897750000000002, 3.269325], [1.0897750000000004, 3.269325, 3.269325], [0.0, 0.0, 0.0], [2.6691789310816136e-16, 2.17955, 2.17955], [2.17955, 1.3345894655408068e-16, 2.17955], [2.17955, 2.17955, 0.0]],
 "unique_id": "b3fe7afabf85dda4c6f17309c5fe6c05",
 "user": "bieniek"},
"84": {
 "cell": [[5.8687, 0.0, 0.0], [3.5935423350780357e-16, 5.8687, 0.0], [3.5935423350780357e-16, 3.5935423350780357e-16, 5.8687]],
 "ctime": 16.56789930180172,
 "key_value_pairs": {"category": "binaries_input", "name": "15_P"},
 "mtime": 16.858199853172675,
 "numbers": [15, 15, 15, 15, 49, 49, 49, 49],
 "pbc": [true, true, true],
 "positions": [[1.467175, 1.467175, 1.467175], [4.4015249999999995, 4.4015249999999995, 1.467175], [4.4015249999999995, 1.4671750000000001, 4.4015249999999995], [1.4671750000000003, 4.4015249999999995, 4.4015249999999995], [0.0, 0.0, 0.0], [3.5935423350780357e-16, 2.93435, 2.93435], [2.93435, 1.7967711675390178e-16, 2.93435], [2.93435, 2.93435, 0.0]],
 "unique_id": "b3e5f792e98b4857a5534b42ef2a6d2b",
 "user": "bieniek"},
"85": {
 "cell": [[5.404, 0.0, 0.0], [3.308995651296148e-16, 5.404, 0.0], [3.308995651296148e-16, 3.308995651296148e-16, 5.404]],
 "ctime": 16.567899307009657,
 "key_value_pairs": {"category": "binaries_input", "name": "16_S"},
 "mtime": 16.858199853658643,
 "numbers": [16, 16, 16, 16, 30, 30, 30, 30],
 "pbc": [true, true, true],
 "positions": [[1.351, 1.351, 1.351], [4.053, 4.053, 1.351], [4.053, 1.3510000000000002, 4.053], [1.3510000000000004, 4.053, 4.053], [0.0, 0.0, 0.0], [3.308995651296148e-16, 2.702, 2.702], [2.702, 1.654497825648074e-16, 2.702], [2.702, 2.702, 0.0]],
 "unique_id": "b64927618141dd1395cea325945885d5",
 "user": "bieniek"},
"86": {
 "cell": [[5.407, 0.0, 0.0], [3.3108326214948696e-16, 5.407, 0.0], [3.3108326214948696e-16, 3.3108326214948696e-16, 5.407]],
 "ctime": 16.567899312720865,
 "key_value_pairs": {"category": "binaries_input", "name": "17_Cl"},
 "mtime": 16.85819985414211,
 "numbers": [17, 17, 17, 17, 29, 29, 29, 29],
 "pbc": [true, true, true],
 "positions": [[1.35175, 1.35175, 1.35175], [4.05525, 4.05525, 1.35175], [4.05525, 1.3517500000000002, 4.05525], [1.3517500000000005, 4.05525, 4.05525], [0.0, 0.0, 0.0], [3.3108326214948696e-16, 2.7035, 2.7035], [2.7035, 1.6554163107474348e-16, 2.7035], [2.7035, 2.7035, 0.0]],
 "unique_id": "8cec62b4b9e7844961088938b967e606",
 "user": "bieniek"},
"87": {
 "cell": [[6.2916, 0.0, 0.0], [3.8524939007577434e-16, 6.2916, 0.0], [3.8524939007577434e-16, 3.8524939007577434e-16, 6.2916]],
 "ctime": 16.567899319122876,
 "key_value_pairs": {"category": "binaries_input", "name": "19_K"},
 "mtime": 16.858199854628392,
 "numbers": [19, 19, 19, 19, 17, 17, 17, 17],
 "pbc": [true, true, true],
 "positions": [[3.1458, 3.1458, 3.1458], [3.1458, 0.0, 0.0], [1.9262469503788717e-16, 3.1458, 0.0], [1.9262469503788717e-16, 1.9262469503788717e-16, 3.1458], [0.0, 0.0, 0.0], [3.8524939007577434e-16, 3.1458, 3.1458], [3.1458, 1.9262469503788717e-16, 3.1458], [3.1458, 3.1458, 0.0]],
 "unique_id": "4bb62c7e4f44c6c0218f00d216be97dc",
 "user": "bieniek"},
"88": {
 "cell": [[4.811, 0.0, 0.0], [2.945887875348958e-16, 4.811, 0.0], [2.945887875348958e-16, 2.945887875348958e-16, 4.811]],
 "ctime": 16.567899325808835,
 "key_value_pairs": {"category": "binaries_input", "name": "20_Ca"},
 "mtime": 16.85819985513024,
 "numbers": [8, 8, 8, 8, 20, 20, 20, 20],
 "pbc": [true, true, true],
 "positions": [[2.4055, 2.4055, 2.4055], [2.4055, 0.0, 0.0], [1.472943937674479e-16, 2.4055, 0.0], [1.472943937674479e-16, 1.472943937674479e-16, 2.4055], [0.0, 0.0, 0.0], [2.945887875348958e-16, 2.4055, 2.4055], [2.4055, 1.472943937674479e-16, 2.4055], [2.4055, 2.4055, 0.0]],
 "unique_id": "94d2317cdc94fb6288808702eb42e09f",
 "user": "bieniek"},
"89": {
 "cell": [[5.199, 0.0, 0.0], [3.1834693543835447e-16, 5.199, 0.0], [3.1834693543835447e-16, 3.1834693543835447e-16, 5.199]],
 "ctime": 16.56789933186358,
 "key_value_pairs": {"category": "binaries_input", "name": "21_Sc"},
 "mtime": 16.85819985564501,
 "numbers": [16, 16, 16, 16, 21, 21, 21, 21],
 "pbc": [true, true, true],
 "positions": [[2.5995, 2.5995, 2.5995], [2.5995, 0.0, 0.0], [1.5917346771917724e-16, 2.5995, 0.0], [1.5917346771917724e-16, 1.5917346771917724e-16, 2.5995], [0.0, 0.0, 0.0], [3.1834693543835447e-16, 2.5995, 2.5995], [2.5995, 1.5917346771917724e-16, 2.5995], [2.5995, 2.5995, 0.0]],
 "unique_id": "96a13c43a3d238880b42ae6aeae86ccb",
 "user": "bieniek"},
"90": {
 "cell": [[4.242, 0.0, 0.0], [2.597475860991536e-16, 4.242, 0.0], [2.597475860991536e-16, 2.597475860991536e-16, 4.242]],
 "ctime": 16.56789933784448,
 "key_value_pairs": {"category": "binaries_input", "name": "22_Ti"},
 "mtime": 16.8581998561608,
 "numbers": [7, 7, 7, 7, 22, 22, 22, 22],
 "pbc": [true, true, true],
 "positions": [[2.121, 2.121, 2.121], [2.121, 0.0, 0.0], [1.298737930495768e-16, 2.121, 0.0], [1.298737930495768e-16, 1.298737930495768e-16, 2.121], [0.0, 0.0, 0.0], [2.597475860991536e-16, 2.121, 2.121], [2.121, 1.298737930495768e-16, 2.121], [2.121, 2.121, 0.0]],
 "unique_id": "dafed75c3adcdd6c3603fbdca4879610",
 "user": "bieniek"},
"91": {
 "cell": [[4.167, 0.0, 0.0], [2.5515516060235104e-16, 4.167, 0.0], [2.5515516060235104e-16, 2.5515516060235104e-16, 4.167]],
 "ctime": 16.56789934480483,
 "key_value_pairs": {"category": "binaries_input", "name": "23_V"},
 "mtime": 16.858199856729318,
 "numbers": [6, 6, 6, 6, 23, 23, 23, 23],
 "pbc": [true, true, true],
 "positions": [[2.0835, 2.0835, 2.0835], [2.0835, 0.0, 0.0], [1.2757758030117552e-16, 2.0835, 0.0], [1.2757758030117552e-16, 1.2757758030117552e-16, 2.0835], [0.0, 0.0, 0.0], [2.5515516060235104e-16, 2.0835, 2.0835], [2.0835, 1.2757758030117552e-16, 2.0835], [2.0835, 2.0835, 0.0]],
 "unique_id": "b2911254f1dc04f6f03b88de1fbf4e85",
 "user": "bieniek"},
"92": {
 "cell": [[4.149, 0.0, 0.0], [2.540529784831184e-16, 4.149, 0.0], [2.540529784831184e-16, 2.540529784831184e-16, 4.149]],
 "ctime": 16.567899351071468,
 "key_value_pairs": {"category": "binaries_input", "name": "24_Cr"},
 "mtime": 16.858199857314244,
 "numbers": [7, 7, 7, 7, 24, 24, 24, 24],
 "pbc": [true, true, true],
 "positions": [[2.0745, 2.0745, 2.0745], [2.0745, 0.0, 0.0], [1.270264892415592e-16, 2.0745, 0.0], [1.270264892415592e-16, 1.270264892415592e-16, 2.0745], [0.0, 0.0, 0.0], [2.540529784831184e-16, 2.0745, 2.0745], [2.0745, 1.270264892415592e-16, 2.0745], [2.0745, 2.0745, 0.0]],
 "unique_id": "a6eb0b28c62e2d1814b07e82da40a198",
 "user": "bieniek"},
"93": {
 "cell": [[5.224, 0.0, 0.0], [3.198777439372887e-16, 5.224, 0.0], [3.198777439372887e-16, 3.198777439372887e-16, 5.224]],
 "ctime": 16.567899357364883,
 "key_value_pairs": {"category": "binaries_input", "name": "25_Mn"},
 "mtime": 16.858199857859276,
 "numbers": [16, 16, 16, 16, 25, 25, 25, 25],
 "pbc": [true, true, true],
 "positions": [[2.612, 2.612, 2.612], [2.612, 0.0, 0.0], [1.5993887196864434e-16, 2.612, 0.0], [1.5993887196864434e-16, 1.5993887196864434e-16, 2.612], [0.0, 0.0, 0.0], [3.198777439372887e-16, 2.612, 2.612], [2.612, 1.5993887196864434e-16, 2.612], [2.612, 2.612, 0.0]],
 "unique_id": "908f33b49d0552be652918a47a1140ae",
 "user": "bieniek"},
"94": {
 "cell": [[4.323, 0.0, 0.0], [2.6470740563570044e-16, 4.323, 0.0], [2.6470740563570044e-16, 2.6470740563570044e-16, 4.323]],
 "ctime": 16.567899363621247,
 "key_value_pairs": {"category": "binaries_input", "name": "26_Fe"},
 "mtime": 16.858199858398766,
 "numbers": [8, 8, 8, 8, 26, 26, 26, 26],
 "pbc": [true, true, true],
 "positions": [[2.1615, 2.1615, 2.1615], [2.1615, 0.0, 0.0], [1.3235370281785022e-16, 2.1615, 0.0], [1.3235370281785022e-16, 1.3235370281785022e-16, 2.1615], [0.0, 0.0, 0.0], [2.6470740563570044e-16, 2.1615, 2.1615], [2.1615, 1.3235370281785022e-16, 2.1615], [2.1615, 2.1615, 0.0]],
 "unique_id": "a6762ba28b6efae596c546358f5a32c6",
 "user": "bieniek"},
"95": {
 "cell": [[4.2581, 0.0, 0.0], [2.6073342677246723e-16, 4.2581, 0.0], [2.6073342677246723e-16, 2.6073342677246723e-16, 4.2581]],
 "ctime": 16.567899370111697,
 "key_value_pairs": {"category": "binaries_input", "name": "27_Co"},
 "mtime": 16.858199858945326,
 "numbers": [8, 8, 8, 8, 27, 27, 27, 27],
 "pbc": [true, true, true],
 "positions": [[2.12905, 2.12905, 2.12905], [2.12905, 0.0, 0.0], [1.3036671338623362e-16, 2.12905, 0.0], [1.3036671338623362e-16, 1.3036671338623362e-16, 2.12905], [0.0, 0.0, 0.0], [2.6073342677246723e-16, 2.12905, 2.12905], [2.12905, 1.3036671338623362e-16, 2.12905], [2.12905, 2.12905, 0.0]],
 "unique_id": "a1958209f8291d4a04d32f33a82393bb",
 "user": "bieniek"},
"96": {
 "cell": [[4.179, 0.0, 0.0], [2.5588994868183947e-16, 4.179, 0.0], [2.5588994868183947e-16, 2.5588994868183947e-16, 4.179]],
 "ctime": 16.567899376478245,
 "key_value_pairs": {"category": "binaries_input", "name": "28_Ni"},
 "mtime": 16.85819985948469,
 "numbers": [8, 8, 8, 8, 28, 28, 28, 28],
 "pbc": [true, true, true],
 "positions": [[2.0895, 2.0895, 2.0895], [2.0895, 0.0, 0.0], [1.2794497434091974e-16, 2.0895, 0.0], [1.2794497434091974e-16, 1.2794497434091974e-16, 2.0895], [0.0, 0.0, 0.0], [2.5588994868183947e-16, 2.0895, 2.0895], [2.0895, 1.2794497434091974e-16, 2.0895], [2.0895, 2.0895, 0.0]],
 "unique_id": "81c61128770e5ddf0baea2a42cd8a1a0",
 "user": "bieniek"},
"97": {
 "cell": [[5.82, 0.0, 0.0], [3.563722185518798e-16, 5.82, 0.0], [3.563722185518798e-16, 3.563722185518798e-16, 5.82]],
 "ctime": 16.56789938263613,
 "key_value_pairs": {"category": "binaries_input", "name": "29_Cu"},
 "mtime": 16.85819986004145,
 "numbers": [35, 35, 35, 35, 29, 29, 29, 29],
 "pbc": [true, true, true],
 "positions": [[1.455, 1.455, 1.455], [4.365, 4.365, 1.455], [4.365, 1.4550000000000003, 4.365], [1.4550000000000005, 4.365, 4.365], [0.0, 0.0, 0.0], [3.563722185518798e-16, 2.91, 2.91], [2.91, 1.781861092759399e-16, 2.91], [2.91, 2.91, 0.0]],
 "unique_id": "fcc0cedb2d371a82bc27ebf7df983efa",
 "user": "bieniek"},
"98": {
 "cell": [[4.569, 0.0, 0.0], [2.7977056126521284e-16, 4.569, 0.0], [2.7977056126521284e-16, 2.7977056126521284e-16, 4.569]],
 "ctime": 16.567899388791158,
 "key_value_pairs": {"category": "binaries_input", "name": "30_Zn"},
 "mtime": 16.85819986059428,
 "numbers": [8, 8, 8, 8, 30, 30, 30, 30],
 "pbc": [true, true, true],
 "positions": [[1.14225, 1.14225, 1.14225], [3.42675, 3.42675, 1.14225], [3.42675, 1.1422500000000002, 3.42675], [1.1422500000000004, 3.42675, 3.42675], [0.0, 0.0, 0.0], [2.7977056126521284e-16, 2.2845, 2.2845], [2.2845, 1.3988528063260642e-16, 2.2845], [2.2845, 2.2845, 0.0]],
 "unique_id": "ad778ae1e93987a6f06993e39f14c659",
 "user": "bieniek"},
"99": {
 "cell": [[5.4508, 0.0, 0.0], [3.3376523863961964e-16, 5.4508, 0.0], [3.3376523863961964e-16, 3.3376523863961964e-16, 5.4508]],
 "ctime": 16.56789939545438,
 "key_value_pairs": {"category": "binaries_input", "name": "31_Ga"},
 "mtime": 16.858199861153956,
 "numbers": [15, 15, 15, 15, 31, 31, 31, 31],
 "pbc": [true, true, true],
 "positions": [[1.3627, 1.3627, 1.3627], [4.0881, 4.0881, 1.3627], [4.0881, 1.3627000000000002, 4.0881], [1.3627000000000005, 4.0881, 4.0881], [0.0, 0.0, 0.0], [3.3376523863961964e-16, 2.7254, 2.7254], [2.7254, 1.6688261931980982e-16, 2.7254], [2.7254, 2.7254, 0.0]],
 "unique_id": "89f9db5024091ae9e64563120ad06e63",
 "user": "bieniek"},
"100": {
 "cell": [[4.1645, 0.0, 0.0], [-2.0822499999999993, 3.606562794060295, 0.0], [6.551309284378723e-16, 1.134720053664165e-15, 10.6991]],
 "ctime": 16.56789940054792,
 "key_value_pairs": {"category": "binaries_input", "name": "32_Ge"},
 "mtime": 16.85819986172887,
 "numbers": [52, 52, 52, 32, 32, 32],
 "pbc": [true, true, true],
 "positions": [[0.0, 0.0, 0.0], [2.0822500002082256, 1.20218759789988, 3.5663666663100297], [-2.082238899159401e-10, 2.4043751961604163, 7.132733333689969], [3.113182171936769e-16, 5.392189695012112e-16, 5.08421232], [2.082250000208226, 1.2021875978998804, 8.65057898631003], [-2.0822423372865137e-10, 2.4043751961604154, 1.5178456536899692]],
 "unique_id": "1db77a8b6bfac84224dae94093bc7692",
 "user": "bieniek"},
"101": {
 "cell": [[5.65, 0.0, 0.0], [3.459627207591273e-16, 5.65, 0.0], [3.459627207591273e-16, 3.459627207591273e-16, 5.65]],
 "ctime": 16.56789940657946,
 "key_value_pairs": {"category": "binaries_input", "name": "33_As"},
 "mtime": 16.85819986229713,
 "numbers": [33, 33, 33, 33, 31, 31, 31, 31],
 "pbc": [true, true, true],
 "positions": [[1.4125, 1.4125, 1.4125], [4.237500000000001, 4.237500000000001, 1.4125], [4.237500000000001, 1.4125000000000003, 4.237500000000001], [1.4125000000000005, 4.237500000000001, 4.237500000000001], [0.0, 0.0, 0.0], [3.459627207591273e-16, 2.825, 2.825], [2.825, 1.7298136037956366e-16, 2.825], [2.825, 2.825, 0.0]],
 "unique_id": "54581ca389ae5c10b0da2d47da9cdcf7",
 "user": "bieniek"},
"102": {
 "cell": [[4.3036, 0.0, 0.0], [-2.1517999999999993, 3.7270269277267105, 0.0], [4.296550830128574e-16, 7.441844335084926e-16, 7.0168]],
 "ctime": 16.567899412359306,
 "key_value_pairs": {"category": "binaries_input", "name": "34_Se"},
 "mtime": 16.858199862868087,
 "numbers": [34, 34, 48, 48],
 "pbc": [true, true, true],
 "positions": [[-1.5543122344752192e-15, 2.484684618484475, 0.0], [2.1518000000000024, 1.242342309242236, 3.5084], [-1.3906136478473205e-15, 2.4846846184844753, 2.6734008], [2.151800000000003, 1.2423423092422363, 6.1818007999999995]],
 "unique_id": "2178778be0e6df340824e005bcd337b7",
 "user": "bieniek"},
"103": {
 "cell": [[6.578, 0.0, 0.0], [4.027863322395645e-16, 6.578, 0.0], [4.027863322395645e-16, 4.027863322395645e-16, 6.578]],
 "ctime": 16.56789941985639,
 "key_value_pairs": {"category": "binaries_input", "name": "35_Br"},
 "mtime": 16.858199863533155,
 "numbers": [35, 35, 35, 35, 19, 19, 19, 19],
 "pbc": [true, true, true],
 "positions": [[3.289, 3.289, 3.289], [3.289, 0.0, 0.0], [2.0139316611978224e-16, 3.289, 0.0], [2.0139316611978224e-16, 2.0139316611978224e-16, 3.289], [0.0, 0.0, 0.0], [4.027863322395645e-16, 3.289, 3.289], [3.289, 2.0139316611978224e-16, 3.289], [3.289, 3.289, 0.0]],
 "unique_id": "7d9cb4211c9e01ea14e10c7922d062b1",
 "user": "bieniek"},
"104": {
 "cell": [[6.5898, 0.0, 0.0], [4.0350887385106144e-16, 6.5898, 0.0], [4.0350887385106144e-16, 4.0350887385106144e-16, 6.5898]],
 "ctime": 16.56789942705846,
 "key_value_pairs": {"category": "binaries_input", "name": "37_Rb"},
 "mtime": 16.858199864180925,
 "numbers": [17, 17, 17, 17, 37, 37, 37, 37],
 "pbc": [true, true, true],
 "positions": [[3.2949, 3.2949, 3.2949], [3.2949, 0.0, 0.0], [2.0175443692553072e-16, 3.2949, 0.0], [2.0175443692553072e-16, 2.0175443692553072e-16, 3.2949], [0.0, 0.0, 0.0], [4.0350887385106144e-16, 3.2949, 3.2949], [3.2949, 2.0175443692553072e-16, 3.2949], [3.2949, 3.2949, 0.0]],
 "unique_id": "a60997880a3be8c495e3fcd65677d3b7",
 "user": "bieniek"},
"105": {
 "cell": [[5.226, 0.0, 0.0], [3.200002086172034e-16, 5.226, 0.0], [3.200002086172034e-16, 3.200002086172034e-16, 5.226]],
 "ctime": 16.567899433329845,
 "key_value_pairs": {"category": "binaries_input", "name": "38_Sr"},
 "mtime": 16.85819986482914,
 "numbers": [8, 8, 8, 8, 38, 38, 38, 38],
 "pbc": [true, true, true],
 "positions": [[2.613, 2.613, 2.613], [2.613, 0.0, 0.0], [1.600001043086017e-16, 2.613, 0.0], [1.600001043086017e-16, 1.600001043086017e-16, 2.613], [0.0, 0.0, 0.0], [3.200002086172034e-16, 2.613, 2.613], [2.613, 1.600001043086017e-16, 2.613], [2.613, 2.613, 0.0]],
 "unique_id": "33ddb441e6759eb3838b1d6ab9b37207",
 "user": "bieniek"},
"106": {
 "cell": [[4.88, 0.0, 0.0], [2.9881381899195416e-16, 4.88, 0.0], [2.9881381899195416e-16, 2.9881381899195416e-16, 4.88]],
 "ctime": 16.567899440400694,
 "key_value_pairs": {"category": "binaries_input", "name": "39_Y"},
 "mtime": 16.858199865510684,
 "numbers": [7, 7, 7, 7, 39, 39, 39, 39],
 "pbc": [true, true, true],
 "positions": [[2.44, 2.44, 2.44], [2.44, 0.0, 0.0], [1.4940690949597708e-16, 2.44, 0.0], [1.4940690949597708e-16, 1.4940690949597708e-16, 2.44], [0.0, 0.0, 0.0], [2.9881381899195416e-16, 2.44, 2.44], [2.44, 1.4940690949597708e-16, 2.44], [2.44, 2.44, 0.0]],
 "unique_id": "6185b7a7413e3c196e7ac62b606bdf39",
 "user": "bieniek"},
"107": {
 "cell": [[4.696, 0.0, 0.0], [2.8754706843979854e-16, 4.696, 0.0], [2.8754706843979854e-16, 2.8754706843979854e-16, 4.696]],
 "ctime": 16.567899447855922,
 "key_value_pairs": {"category": "binaries_input", "name": "40_Zr"},
 "mtime": 16.858199866178325,
 "numbers": [40, 40, 40, 40, 6, 6, 6, 6],
 "pbc": [true, true, true],
 "positions": [[2.348, 2.348, 2.348], [2.348, 0.0, 0.0], [1.4377353421989927e-16, 2.348, 0.0], [1.4377353421989927e-16, 1.4377353421989927e-16, 2.348], [0.0, 0.0, 0.0], [2.8754706843979854e-16, 2.348, 2.348], [2.348, 1.4377353421989927e-16, 2.348], [2.348, 2.348, 0.0]],
 "unique_id": "efde06700c7cf518367a275f61a77618",
 "user": "bieniek"},
"108": {
 "cell": [[4.4544, 0.0, 0.0], [2.7275333510609847e-16, 4.4544, 0.0], [2.7275333510609847e-16, 2.7275333510609847e-16, 4.4544]],
 "ctime": 16.567899454443015,
 "key_value_pairs": {"category": "binaries_input", "name": "41_Nb"},
 "mtime": 16.85819986681129,
 "numbers": [6, 6, 6, 6, 41, 41, 41, 41],
 "pbc": [true, true, true],
 "positions": [[2.2272, 2.2272, 2.2272], [2.2272, 0.0, 0.0], [1.3637666755304924e-16, 2.2272, 0.0], [1.3637666755304924e-16, 1.3637666755304924e-16, 2.2272], [0.0, 0.0, 0.0], [2.7275333510609847e-16, 2.2272, 2.2272], [2.2272, 1.3637666755304924e-16, 2.2272], [2.2272, 2.2272, 0.0]],
 "unique_id": "fff86764b11efe24b76b179fac91ce28",
 "user": "bieniek"},
"109": {
 "cell": [[2.9, 0.0, 0.0], [-1.4499999999999993, 2.511473670974872, 0.0], [1.7328752207935048e-16, 3.001427925591486e-16, 2.83]],
 "ctime": 16.567899460133095,
 "key_value_pairs": {"category": "binaries_input", "name": "42_Mo"},
 "mtime": 16.85819986743539,
 "numbers": [6, 42],
 "pbc": [true, true, true],
 "positions": [[-1.0235792635854814e-15, 1.6743157806499158, 1.415], [0.0, 0.0, 0.0]],
 "unique_id": "1b67802f36adb631e883958bf2a8db8a",
 "user": "bieniek"},
"110": {
 "cell": [[5.4828, 0.0, 0.0], [2.911352835613003e-16, 4.7546, 0.0], [-2.5679982979780873, 4.952164451864266e-16, 4.885720519184621]],
 "ctime": 16.567899466012083,
 "key_value_pairs": {"category": "binaries_input", "name": "43_Tc"},
 "mtime": 16.858199868079794,
 "numbers": [8, 8, 8, 8, 43, 43, 43, 43, 8, 8, 8, 8],
 "pbc": [true, true, true],
 "positions": [[-0.4809745443836442, 1.4820088200000001, 1.9967939761907545], [4.679775395394601, 3.85930882, 0.44606628340155585], [3.395776246405557, 3.2725911800000005, 2.888926542993866], [-1.764973693372688, 0.8952911800000005, 4.439654235783065], [0.7239087526514851, 0.03470858000000014, 1.3567645881775692], [3.4748920983594713, 2.4120085799999997, 1.0860956714147412], [2.1908929493704283, 4.71989142, 3.5289559310070513], [-0.5600903963375585, 2.3425914200000006, 3.7996248477698797], [2.362103324215294, 0.9913341000000002, 1.8492452165113789], [1.8366975267956624, 3.3686341, 0.5936150430809314], [0.5526983778066195, 3.7632659000000004, 3.0364753026732414], [1.0781041752262501, 1.3859659000000004, 4.292105476103689]],
 "unique_id": "42e8a6ccbec2d842582cb40d8eefcd99",
 "user": "bieniek"},
"111": {
 "cell": [[4.491, 0.0, 0.0], [2.7499443874853814e-16, 4.491, 0.0], [1.9021214084356688e-16, 1.9021214084356688e-16, 3.1064]],
 "ctime": 16.567899472007536,
 "key_value_pairs": {"category": "binaries_input", "name": "44_Ru"},
 "mtime": 16.858199868718597,
 "numbers": [8, 8, 8, 8, 44, 44],
 "pbc": [true, true, true],
 "positions": [[1.36881189, 1.36881189, 0.0], [3.1221881099999997, 3.1221881099999997, 0.0], [0.8766881100000002, 3.6143118899999997, 1.5532], [3.6143118899999997, 0.87668811, 1.5532], [0.0, 0.0, 0.0], [2.2455, 2.2455, 1.5532]],
 "unique_id": "a3dec2733199d775f116486c6eb4d6a0",
 "user": "bieniek"},
"112": {
 "cell": [[4.489, 0.0, 0.0], [2.7487197406862344e-16, 4.489, 0.0], [1.8920793046826606e-16, 1.8920793046826606e-16, 3.09]],
 "ctime": 16.567899477584703,
 "key_value_pairs": {"category": "binaries_input", "name": "45_Rh"},
 "mtime": 16.858199869358636,
 "numbers": [8, 8, 8, 8, 45, 45],
 "pbc": [true, true, true],
 "positions": [[1.378123, 1.378123, 0.0], [3.1108770000000003, 3.1108770000000003, 0.0], [0.8663770000000003, 3.6226229999999995, 1.545], [3.6226229999999995, 0.8663770000000001, 1.545], [0.0, 0.0, 0.0], [2.2445, 2.2445, 1.545]],
 "unique_id": "d4caa6176516417f45d64512ee3bd658",
 "user": "bieniek"},
"113": {
 "cell": [[3.03, 0.0, 0.0], [1.85533990070824e-16, 3.03, 0.0], [3.263683719727696e-16, 3.263683719727696e-16, 5.33]],
 "ctime": 16.5678994832441,
 "key_value_pairs": {"category": "binaries_input", "name": "46_Pd"},
 "mtime": 16.85819987005542,
 "numbers": [8, 8, 46, 46],
 "pbc": [true, true, true],
 "positions": [[8.15920929931924e-17, 8.15920929931924e-17, 1.3325], [2.447762789795772e-16, 2.447762789795772e-16, 3.9975], [9.2766995035412e-17, 1.515, 0.0], [1.5150000000000001, 1.631841859863848e-16, 2.665]],
 "unique_id": "26313053b746d69fc4565cbe1321df90",
 "user": "bieniek"},
"114": {
 "cell": [[5.548, 0.0, 0.0], [3.397170220834758e-16, 5.548, 0.0], [3.397170220834758e-16, 3.397170220834758e-16, 5.548]],
 "ctime": 16.56789949019437,
 "key_value_pairs": {"category": "binaries_input", "name": "47_Ag"},
 "mtime": 16.85819987077376,
 "numbers": [17, 17, 17, 17, 47, 47, 47, 47],
 "pbc": [true, true, true],
 "positions": [[2.774, 2.774, 2.774], [2.774, 0.0, 0.0], [1.698585110417379e-16, 2.774, 0.0], [1.698585110417379e-16, 1.698585110417379e-16, 2.774], [0.0, 0.0, 0.0], [3.397170220834758e-16, 2.774, 2.774], [2.774, 1.698585110417379e-16, 2.774], [2.774, 2.774, 0.0]],
 "unique_id": "11bf6ab6228c234f88be08bf00c11b41",
 "user": "bieniek"},
"115": {
 "cell": [[4.6946, 0.0, 0.0], [2.8746134316385825e-16, 4.6946, 0.0], [2.8746134316385825e-16, 2.8746134316385825e-16, 4.6946]],
 "ctime": 16.56789949701558,
 "key_value_pairs": {"category": "binaries_input", "name": "48_Cd"},
 "mtime": 16.858199871493746,
 "numbers": [8, 8, 8, 8, 48, 48, 48, 48],
 "pbc": [true, true, true],
 "positions": [[2.3473, 2.3473, 2.3473], [2.3473, 0.0, 0.0], [1.4373067158192912e-16, 2.3473, 0.0], [1.4373067158192912e-16, 1.4373067158192912e-16, 2.3473], [0.0, 0.0, 0.0], [2.8746134316385825e-16, 2.3473, 2.3473], [2.3473, 1.4373067158192912e-16, 2.3473], [2.3473, 2.3473, 0.0]],
 "unique_id": "7a8e79e288db038c39e568734ead20ed",
 "user": "bieniek"},
"116": {
 "cell": [[5.8687, 0.0, 0.0], [3.5935423350780357e-16, 5.8687, 0.0], [3.5935423350780357e-16, 3.5935423350780357e-16, 5.8687]],
 "ctime": 16.567899502547213,
 "key_value_pairs": {"category": "binaries_input", "name": "49_In"},
 "mtime": 16.858199872196742,
 "numbers": [15, 15, 15, 15, 49, 49, 49, 49],
 "pbc": [true, true, true],
 "positions": [[1.467175, 1.467175, 1.467175], [4.4015249999999995, 4.4015249999999995, 1.467175], [4.4015249999999995, 1.4671750000000001, 4.4015249999999995], [1.4671750000000003, 4.4015249999999995, 4.4015249999999995], [0.0, 0.0, 0.0], [3.5935423350780357e-16, 2.93435, 2.93435], [2.93435, 1.7967711675390178e-16, 2.93435], [2.93435, 2.93435, 0.0]],
 "unique_id": "20e24cfdc424daff8b7ea7daead2d605",
 "user": "bieniek"},
"117": {
 "cell": [[11.143, 0.0, 0.0], [2.43153621970707e-16, 3.971, 0.0], [2.655034260551462e-16, 2.655034260551462e-16, 4.336]],
 "ctime": 16.567899508703164,
 "key_value_pairs": {"category": "binaries_input", "name": "50_Sn"},
 "mtime": 16.85819987291768,
 "numbers": [50, 50, 50, 50, 16, 16, 16, 16],
 "pbc": [true, true, true],
 "positions": [[1.3304742, 0.9927500000000001, 1.6481136], [4.2410258, 2.9782500000000005, 3.8161136000000004], [9.812525800000001, 2.97825, 2.6878864], [6.9019742, 0.99275, 0.5198864000000001], [3.9123073000000006, 0.9927500000000001, 2.0756432], [1.6591927000000002, 2.9782500000000005, 4.2436432], [7.2306927000000005, 2.97825, 2.2603568000000003], [9.4838073, 0.99275, 0.09235679999999995]],
 "unique_id": "17ab07c42074017ffadd41b0b3117756",
 "user": "bieniek"},
"118": {
 "cell": [[6.4794, 0.0, 0.0], [3.9674882351976804e-16, 6.4794, 0.0], [3.9674882351976804e-16, 3.9674882351976804e-16, 6.4794]],
 "ctime": 16.567899515977132,
 "key_value_pairs": {"category": "binaries_input", "name": "51_Sb"},
 "mtime": 16.858199873631232,
 "numbers": [51, 51, 51, 51, 49, 49, 49, 49],
 "pbc": [true, true, true],
 "positions": [[1.61985, 1.61985, 1.61985], [4.8595500000000005, 4.8595500000000005, 1.61985], [4.8595500000000005, 1.6198500000000002, 4.8595500000000005], [1.6198500000000005, 4.8595500000000005, 4.8595500000000005], [0.0, 0.0, 0.0], [3.9674882351976804e-16, 3.2397, 3.2397], [3.2397, 1.9837441175988402e-16, 3.2397], [3.2397, 3.2397, 0.0]],
 "unique_id": "5ac886751dead6e6f9effeb22af96078",
 "user": "bieniek"},
"119": {
 "cell": [[6.073, 0.0, 0.0], [3.7186400056109385e-16, 6.073, 0.0], [3.7186400056109385e-16, 3.7186400056109385e-16, 6.073]],
 "ctime": 16.5678995226445,
 "key_value_pairs": {"category": "binaries_input", "name": "52_Te"},
 "mtime": 16.858199874358636,
 "numbers": [52, 52, 52, 52, 30, 30, 30, 30],
 "pbc": [true, true, true],
 "positions": [[1.51825, 1.51825, 1.51825], [4.55475, 4.55475, 1.51825], [4.55475, 1.5182500000000003, 4.55475], [1.5182500000000005, 4.55475, 4.55475], [0.0, 0.0, 0.0], [3.7186400056109385e-16, 3.0365, 3.0365], [3.0365, 1.8593200028054692e-16, 3.0365], [3.0365, 3.0365, 0.0]],
 "unique_id": "4513fd054c67a08e25fb8ae650f2ef75",
 "user": "bieniek"},
"120": {
 "cell": [[6.06, 0.0, 0.0], [3.71067980141648e-16, 6.06, 0.0], [3.71067980141648e-16, 3.71067980141648e-16, 6.06]],
 "ctime": 16.567899530797146,
 "key_value_pairs": {"category": "binaries_input", "name": "53_I"},
 "mtime": 16.85819987508169,
 "numbers": [3, 3, 3, 3, 53, 53, 53, 53],
 "pbc": [true, true, true],
 "positions": [[3.03, 3.03, 3.03], [3.03, 0.0, 0.0], [1.85533990070824e-16, 3.03, 0.0], [1.85533990070824e-16, 1.85533990070824e-16, 3.03], [0.0, 0.0, 0.0], [3.71067980141648e-16, 3.03, 3.03], [3.03, 1.85533990070824e-16, 3.03], [3.03, 3.03, 0.0]],
 "unique_id": "bde6c00adf9eb294232e044ffa0659a8",
 "user": "bieniek"},
"121": {
 "cell": [[4.12, 0.0, 0.0], [2.5227724062435474e-16, 4.12, 0.0], [2.5227724062435474e-16, 2.5227724062435474e-16, 4.12]],
 "ctime": 16.567899536814114,
 "key_value_pairs": {"category": "binaries_input", "name": "55_Cs"},
 "mtime": 16.858199875824177,
 "numbers": [17, 55],
 "pbc": [true, true, true],
 "positions": [[2.06, 2.06, 2.06], [0.0, 0.0, 0.0]],
 "unique_id": "bdca6803be2fcef1558b8dfd4ae2f7f0",
 "user": "bieniek"},
"122": {
 "cell": [[5.25, 0.0, 0.0], [3.214697847761802e-16, 5.25, 0.0], [3.214697847761802e-16, 3.214697847761802e-16, 5.25]],
 "ctime": 16.56789954340802,
 "key_value_pairs": {"category": "binaries_input", "name": "56_Ba"},
 "mtime": 16.858199876524512,
 "numbers": [8, 8, 8, 8, 56, 56, 56, 56],
 "pbc": [true, true, true],
 "positions": [[2.625, 2.625, 2.625], [2.625, 0.0, 0.0], [1.607348923880901e-16, 2.625, 0.0], [1.607348923880901e-16, 1.607348923880901e-16, 2.625], [0.0, 0.0, 0.0], [3.214697847761802e-16, 2.625, 2.625], [2.625, 1.607348923880901e-16, 2.625], [2.625, 2.625, 0.0]],
 "unique_id": "9bfad5b7f6a0107fa0079417e3ee9115",
 "user": "bieniek"},
"123": {
 "cell": [[7.4779, 0.0, 0.0], [-3.738949999999998, 6.476051366959654, 0.0], [2.6786087114350483e-16, 4.639486381802105e-16, 4.3745]],
 "ctime": 16.567899549184126,
 "key_value_pairs": {"category": "binaries_input", "name": "57_La"},
 "mtime": 16.858199877258535,
 "numbers": [17, 17, 17, 17, 17, 17, 57, 57],
 "pbc": [true, true, true],
 "positions": [[2.575986992, 0.5560337703671561, 1.093625], [5.7083671335, 1.9528532897066837, 1.093625], [2.932495874500001, 3.967164306885814, 1.093625], [1.1629630080000013, 5.920017596592498, 3.280875], [-1.9694171334999984, 4.52319807725297, 3.280875], [0.8064541255000011, 2.5088870600738398, 3.280875], [-2.153480831464437e-15, 4.317367577973104, 1.093625], [3.7389500000000035, 2.15868378898655, 3.280875]],
 "unique_id": "a5a1595a0308323135490de998b90f55",
 "user": "bieniek"},
"124": {
 "cell": [[5.02, 0.0, 0.0], [3.0738634658598564e-16, 5.02, 0.0], [3.0738634658598564e-16, 3.0738634658598564e-16, 5.02]],
 "ctime": 16.567899555070408,
 "key_value_pairs": {"category": "binaries_input", "name": "58_Ce"},
 "mtime": 16.85819987800717,
 "numbers": [7, 7, 7, 7, 58, 58, 58, 58],
 "pbc": [true, true, true],
 "positions": [[2.51, 2.51, 2.51], [2.51, 0.0, 0.0], [1.5369317329299282e-16, 2.51, 0.0], [1.5369317329299282e-16, 1.5369317329299282e-16, 2.51], [0.0, 0.0, 0.0], [3.0738634658598564e-16, 2.51, 2.51], [2.51, 1.5369317329299282e-16, 2.51], [2.51, 2.51, 0.0]],
 "unique_id": "b47dc92713125e8c5b0740db365bcc71",
 "user": "bieniek"},
"125": {
 "cell": [[5.163, 0.0, 0.0], [3.1614257119988926e-16, 5.163, 0.0], [3.1614257119988926e-16, 3.1614257119988926e-16, 5.163]],
 "ctime": 16.56789956130615,
 "key_value_pairs": {"category": "binaries_input", "name": "59_Pr"},
 "mtime": 16.85819987872725,
 "numbers": [7, 7, 7, 7, 59, 59, 59, 59],
 "pbc": [true, true, true],
 "positions": [[2.5815, 2.5815, 2.5815], [2.5815, 0.0, 0.0], [1.5807128559994463e-16, 2.5815, 0.0], [1.5807128559994463e-16, 1.5807128559994463e-16, 2.5815], [0.0, 0.0, 0.0], [3.1614257119988926e-16, 2.5815, 2.5815], [2.5815, 1.5807128559994463e-16, 2.5815], [2.5815, 2.5815, 0.0]],
 "unique_id": "d99f3377396acfc3de1c7d56b33c4877",
 "user": "bieniek"},
"126": {
 "cell": [[5.099, 0.0, 0.0], [3.122237014426177e-16, 5.099, 0.0], [3.122237014426177e-16, 3.122237014426177e-16, 5.099]],
 "ctime": 16.567899567303822,
 "key_value_pairs": {"category": "binaries_input", "name": "60_Nd"},
 "mtime": 16.858199879521923,
 "numbers": [60, 60, 60, 60, 7, 7, 7, 7],
 "pbc": [true, true, true],
 "positions": [[2.5495, 2.5495, 2.5495], [2.5495, 0.0, 0.0], [1.5611185072130885e-16, 2.5495, 0.0], [1.5611185072130885e-16, 1.5611185072130885e-16, 2.5495], [0.0, 0.0, 0.0], [3.122237014426177e-16, 2.5495, 2.5495], [2.5495, 1.5611185072130885e-16, 2.5495], [2.5495, 2.5495, 0.0]],
 "unique_id": "203704fc482709a31cb07823df82d401",
 "user": "bieniek"},
"127": {
 "cell": [[3.802, 0.0, 0.0], [-1.9009999999999991, 3.292628585188436, 0.0], [3.6457735210616704e-16, 6.314664971368094e-16, 5.954]],
 "ctime": 16.567899573045985,
 "key_value_pairs": {"category": "binaries_input", "name": "61_Pm"},
 "mtime": 16.858199880263737,
 "numbers": [61, 61, 8, 8, 8],
 "pbc": [true, true, true],
 "positions": [[-1.2423263967855964e-15, 2.1950857234589582, 1.4688518], [1.9010000000000022, 1.097542861729478, 4.485148199999999], [-1.0963860827374978e-15, 2.1950857234589587, 3.852238], [1.9010000000000022, 1.0975428617294778, 2.101762], [0.0, 0.0, 0.0]],
 "unique_id": "21084c9bb898075c3c51e27d623ccf2f",
 "user": "bieniek"},
"128": {
 "cell": [[5.031, 0.0, 0.0], [3.080599023255167e-16, 5.031, 0.0], [3.080599023255167e-16, 3.080599023255167e-16, 5.031]],
 "ctime": 16.56789958033228,
 "key_value_pairs": {"category": "binaries_input", "name": "62_Sm"},
 "mtime": 16.858199881040388,
 "numbers": [7, 7, 7, 7, 62, 62, 62, 62],
 "pbc": [true, true, true],
 "positions": [[2.5155, 2.5155, 2.5155], [2.5155, 0.0, 0.0], [1.5402995116275834e-16, 2.5155, 0.0], [1.5402995116275834e-16, 1.5402995116275834e-16, 2.5155], [0.0, 0.0, 0.0], [3.080599023255167e-16, 2.5155, 2.5155], [2.5155, 1.5402995116275834e-16, 2.5155], [2.5155, 2.5155, 0.0]],
 "unique_id": "7a00263dd829a556d2d8545e404650dd",
 "user": "bieniek"},
"129": {
 "cell": [[5.965, 0.0, 0.0], [3.652509078456981e-16, 5.965, 0.0], [3.652509078456981e-16, 3.652509078456981e-16, 5.965]],
 "ctime": 16.56789958724276,
 "key_value_pairs": {"category": "binaries_input", "name": "63_Eu"},
 "mtime": 16.858199881852553,
 "numbers": [16, 16, 16, 16, 63, 63, 63, 63],
 "pbc": [true, true, true],
 "positions": [[2.9825, 2.9825, 2.9825], [2.9825, 0.0, 0.0], [1.8262545392284904e-16, 2.9825, 0.0], [1.8262545392284904e-16, 1.8262545392284904e-16, 2.9825], [0.0, 0.0, 0.0], [3.652509078456981e-16, 2.9825, 2.9825], [2.9825, 1.8262545392284904e-16, 2.9825], [2.9825, 2.9825, 0.0]],
 "unique_id": "e37947ab9179cd7ed4b1408d625ce28f",
 "user": "bieniek"},
"130": {
 "cell": [[4.978, 0.0, 0.0], [3.048145883077762e-16, 4.978, 0.0], [3.048145883077762e-16, 3.048145883077762e-16, 4.978]],
 "ctime": 16.567899594636316,
 "key_value_pairs": {"category": "binaries_input", "name": "64_Gd"},
 "mtime": 16.85819988264706,
 "numbers": [7, 7, 7, 7, 64, 64, 64, 64],
 "pbc": [true, true, true],
 "positions": [[2.489, 2.489, 2.489], [2.489, 0.0, 0.0], [1.524072941538881e-16, 2.489, 0.0], [1.524072941538881e-16, 1.524072941538881e-16, 2.489], [0.0, 0.0, 0.0], [3.048145883077762e-16, 2.489, 2.489], [2.489, 1.524072941538881e-16, 2.489], [2.489, 2.489, 0.0]],
 "unique_id": "dc7a33837c4a4b85ff0e655941f0123e",
 "user": "bieniek"},
"131": {
 "cell": [[4.938, 0.0, 0.0], [3.023652947094815e-16, 4.938, 0.0], [3.023652947094815e-16, 3.023652947094815e-16, 4.938]],
 "ctime": 16.56789960099402,
 "key_value_pairs": {"category": "binaries_input", "name": "65_Tb"},
 "mtime": 16.858199883454507,
 "numbers": [7, 7, 7, 7, 65, 65, 65, 65],
 "pbc": [true, true, true],
 "positions": [[2.469, 2.469, 2.469], [2.469, 0.0, 0.0], [1.5118264735474075e-16, 2.469, 0.0], [1.5118264735474075e-16, 1.5118264735474075e-16, 2.469], [0.0, 0.0, 0.0], [3.023652947094815e-16, 2.469, 2.469], [2.469, 1.5118264735474075e-16, 2.469], [2.469, 2.469, 0.0]],
 "unique_id": "95764196f6460f0e5bbdfd3820822751",
 "user": "bieniek"},
"132": {
 "cell": [[4.89, 0.0, 0.0], [2.9942614239152785e-16, 4.89, 0.0], [2.9942614239152785e-16, 2.9942614239152785e-16, 4.89]],
 "ctime": 16.56789960733538,
 "key_value_pairs": {"category": "binaries_input", "name": "66_Dy"},
 "mtime": 16.858199884260053,
 "numbers": [7, 7, 7, 7, 66, 66, 66, 66],
 "pbc": [true, true, true],
 "positions": [[2.445, 2.445, 2.445], [2.445, 0.0, 0.0], [1.4971307119576392e-16, 2.445, 0.0], [1.4971307119576392e-16, 1.4971307119576392e-16, 2.445], [0.0, 0.0, 0.0], [2.9942614239152785e-16, 2.445, 2.445], [2.445, 1.4971307119576392e-16, 2.445], [2.445, 2.445, 0.0]],
 "unique_id": "7a70d5af6bce009a379ca32db4aeb57a",
 "user": "bieniek"},
"133": {
 "cell": [[4.8733, 0.0, 0.0], [2.9840356231423985e-16, 4.8733, 0.0], [2.9840356231423985e-16, 2.9840356231423985e-16, 4.8733]],
 "ctime": 16.567899615139115,
 "key_value_pairs": {"category": "binaries_input", "name": "67_Ho"},
 "mtime": 16.858199885069997,
 "numbers": [7, 7, 7, 7, 67, 67, 67, 67],
 "pbc": [true, true, true],
 "positions": [[2.43665, 2.43665, 2.43665], [2.43665, 0.0, 0.0], [1.4920178115711992e-16, 2.43665, 0.0], [1.4920178115711992e-16, 1.4920178115711992e-16, 2.43665], [0.0, 0.0, 0.0], [2.9840356231423985e-16, 2.43665, 2.43665], [2.43665, 1.4920178115711992e-16, 2.43665], [2.43665, 2.43665, 0.0]],
 "unique_id": "2fd454192b6cafb97aa2564fb78438da",
 "user": "bieniek"},
"134": {
 "cell": [[4.83, 0.0, 0.0], [2.957522019940858e-16, 4.83, 0.0], [2.957522019940858e-16, 2.957522019940858e-16, 4.83]],
 "ctime": 16.567899621724212,
 "key_value_pairs": {"category": "binaries_input", "name": "68_Er"},
 "mtime": 16.85819988585783,
 "numbers": [7, 7, 7, 7, 68, 68, 68, 68],
 "pbc": [true, true, true],
 "positions": [[2.415, 2.415, 2.415], [2.415, 0.0, 0.0], [1.478761009970429e-16, 2.415, 0.0], [1.478761009970429e-16, 1.478761009970429e-16, 2.415], [0.0, 0.0, 0.0], [2.957522019940858e-16, 2.415, 2.415], [2.415, 1.478761009970429e-16, 2.415], [2.415, 2.415, 0.0]],
 "unique_id": "b0c6ff5eef267dae8b11faf8868bccf5",
 "user": "bieniek"},
"135": {
 "cell": [[4.81, 0.0, 0.0], [2.945275551949384e-16, 4.81, 0.0], [2.945275551949384e-16, 2.945275551949384e-16, 4.81]],
 "ctime": 16.567899628352407,
 "key_value_pairs": {"category": "binaries_input", "name": "69_Tm"},
 "mtime": 16.858199886688723,
 "numbers": [7, 7, 7, 7, 69, 69, 69, 69],
 "pbc": [true, true, true],
 "positions": [[2.405, 2.405, 2.405], [2.405, 0.0, 0.0], [1.472637775974692e-16, 2.405, 0.0], [1.472637775974692e-16, 1.472637775974692e-16, 2.405], [0.0, 0.0, 0.0], [2.945275551949384e-16, 2.405, 2.405], [2.405, 1.472637775974692e-16, 2.405], [2.405, 2.405, 0.0]],
 "unique_id": "a5d0f66b3a0bb5163794ec35bec54b0f",
 "user": "bieniek"},
"136": {
 "cell": [[4.787, 0.0, 0.0], [2.93119211375919e-16, 4.787, 0.0], [2.93119211375919e-16, 2.93119211375919e-16, 4.787]],
 "ctime": 16.567899635038213,
 "key_value_pairs": {"category": "binaries_input", "name": "70_Yb"},
 "mtime": 16.858199887533903,
 "numbers": [7, 7, 7, 7, 70, 70, 70, 70],
 "pbc": [true, true, true],
 "positions": [[2.3935, 2.3935, 2.3935], [2.3935, 0.0, 0.0], [1.465596056879595e-16, 2.3935, 0.0], [1.465596056879595e-16, 1.465596056879595e-16, 2.3935], [0.0, 0.0, 0.0], [2.93119211375919e-16, 2.3935, 2.3935], [2.3935, 1.465596056879595e-16, 2.3935], [2.3935, 2.3935, 0.0]],
 "unique_id": "e2031a6f932f93cf1ecc55f0ab297321",
 "user": "bieniek"},
"137": {
 "cell": [[4.7599, 0.0, 0.0], [2.9145981496307435e-16, 4.7599, 0.0], [2.9145981496307435e-16, 2.9145981496307435e-16, 4.7599]],
 "ctime": 16.56789964149828,
 "key_value_pairs": {"category": "binaries_input", "name": "71_Lu"},
 "mtime": 16.85819988837469,
 "numbers": [7, 7, 7, 7, 71, 71, 71, 71],
 "pbc": [true, true, true],
 "positions": [[2.37995, 2.37995, 2.37995], [2.37995, 0.0, 0.0], [1.4572990748153717e-16, 2.37995, 0.0], [1.4572990748153717e-16, 1.4572990748153717e-16, 2.37995], [0.0, 0.0, 0.0], [2.9145981496307435e-16, 2.37995, 2.37995], [2.37995, 1.4572990748153717e-16, 2.37995], [2.37995, 2.37995, 0.0]],
 "unique_id": "3a3e689bb324682fb6c2e6ae89ce6d9e",
 "user": "bieniek"},
"138": {
 "cell": [[4.633, 0.0, 0.0], [2.8368943102248436e-16, 4.633, 0.0], [2.8368943102248436e-16, 2.8368943102248436e-16, 4.633]],
 "ctime": 16.567899648701264,
 "key_value_pairs": {"category": "binaries_input", "name": "72_Hf"},
 "mtime": 16.858199889233717,
 "numbers": [6, 6, 6, 6, 72, 72, 72, 72],
 "pbc": [true, true, true],
 "positions": [[2.3165, 2.3165, 2.3165], [2.3165, 0.0, 0.0], [1.4184471551124218e-16, 2.3165, 0.0], [1.4184471551124218e-16, 1.4184471551124218e-16, 2.3165], [0.0, 0.0, 0.0], [2.8368943102248436e-16, 2.3165, 2.3165], [2.3165, 1.4184471551124218e-16, 2.3165], [2.3165, 2.3165, 0.0]],
 "unique_id": "e5348220aaebcd5089f22e9813dffb4a",
 "user": "bieniek"},
"139": {
 "cell": [[4.453, 0.0, 0.0], [2.726676098301582e-16, 4.453, 0.0], [2.726676098301582e-16, 2.726676098301582e-16, 4.453]],
 "ctime": 16.567899655247487,
 "key_value_pairs": {"category": "binaries_input", "name": "73_Ta"},
 "mtime": 16.85819989044665,
 "numbers": [6, 6, 6, 6, 73, 73, 73, 73],
 "pbc": [true, true, true],
 "positions": [[2.2265, 2.2265, 2.2265], [2.2265, 0.0, 0.0], [1.363338049150791e-16, 2.2265, 0.0], [1.363338049150791e-16, 1.363338049150791e-16, 2.2265], [0.0, 0.0, 0.0], [2.726676098301582e-16, 2.2265, 2.2265], [2.2265, 1.363338049150791e-16, 2.2265], [2.2265, 2.2265, 0.0]],
 "unique_id": "7484a4a5da70539a08c1372a67236598",
 "user": "bieniek"},
"140": {
 "cell": [[2.8889, 0.0, 0.0], [-1.4444499999999993, 2.501860788992865, 0.0], [1.7398557075486448e-16, 3.0135184833129503e-16, 2.8414]],
 "ctime": 16.56789966157715,
 "key_value_pairs": {"category": "binaries_input", "name": "74_W"},
 "mtime": 16.858199891283494,
 "numbers": [6, 74],
 "pbc": [true, true, true],
 "positions": [[-9.122079367852087e-16, 1.667907192661911, 1.4207], [0.0, 0.0, 0.0]],
 "unique_id": "1ac19ed7b620443dd2a6f7bbf0c0229d",
 "user": "bieniek"},
"141": {
 "cell": [[3.7492, 0.0, 0.0], [2.295722889681628e-16, 3.7492, 0.0], [2.295722889681628e-16, 2.295722889681628e-16, 3.7492]],
 "ctime": 16.5678996682601,
 "key_value_pairs": {"category": "binaries_input", "name": "75_Re"},
 "mtime": 16.85819989217409,
 "numbers": [8, 8, 8, 75],
 "pbc": [true, true, true],
 "positions": [[1.8746, 0.0, 0.0], [1.147861444840814e-16, 1.8746, 0.0], [1.147861444840814e-16, 1.147861444840814e-16, 1.8746], [0.0, 0.0, 0.0]],
 "unique_id": "e08c94dedf25b1ba71c4e5a0ac4a340d",
 "user": "bieniek"},
"142": {
 "cell": [[2.8767, 0.0, 0.0], [-1.4383499999999994, 2.4912952790666947, 0.0], [1.7584703388956843e-16, 3.045759970570187e-16, 2.8718]],
 "ctime": 16.567899674221486,
 "key_value_pairs": {"category": "binaries_input", "name": "76_Os"},
 "mtime": 16.858199893063414,
 "numbers": [5, 76],
 "pbc": [true, true, true],
 "positions": [[-9.112772052178568e-16, 1.6608635193777974, 1.4359], [0.0, 0.0, 0.0]],
 "unique_id": "4af809a156a335afcd476682e8340ab6",
 "user": "bieniek"},
"143": {
 "cell": [[4.5051, 0.0, 0.0], [2.7585781474193703e-16, 4.5051, 0.0], [1.9340846898934148e-16, 1.9340846898934148e-16, 3.1586]],
 "ctime": 16.567899680233477,
 "key_value_pairs": {"category": "binaries_input", "name": "77_Ir"},
 "mtime": 16.858199894203967,
 "numbers": [8, 8, 8, 8, 77, 77],
 "pbc": [true, true, true],
 "positions": [[1.3862192699999998, 1.3862192699999998, 0.0], [3.11888073, 3.11888073, 0.0], [0.8663307300000004, 3.6387692699999996, 1.5793], [3.6387692699999996, 0.8663307300000002, 1.5793], [0.0, 0.0, 0.0], [2.25255, 2.25255, 1.5793]],
 "unique_id": "a0869fb6c1c4204b7851368882973a87",
 "user": "bieniek"},
"144": {
 "cell": [[3.04, 0.0, 0.0], [1.861463134703977e-16, 3.04, 0.0], [3.269806953723433e-16, 3.269806953723433e-16, 5.34]],
 "ctime": 16.56789968520743,
 "key_value_pairs": {"category": "binaries_input", "name": "78_Pt"},
 "mtime": 16.858199895213197,
 "numbers": [8, 8, 78, 78],
 "pbc": [true, true, true],
 "positions": [[8.174517384308582e-17, 8.174517384308582e-17, 1.335], [2.452355215292575e-16, 2.452355215292575e-16, 4.005], [9.307315673519885e-17, 1.52, 0.0], [1.5200000000000002, 1.6349034768617165e-16, 2.67]],
 "unique_id": "3417ef5955c6b35533de4386f1d1013b",
 "user": "bieniek"},
"145": {
 "cell": [[5.02, 0.0, 0.0], [3.0738634658598564e-16, 5.02, 0.0], [3.0738634658598564e-16, 3.0738634658598564e-16, 5.02]],
 "ctime": 16.567899690811213,
 "key_value_pairs": {"category": "binaries_input", "name": "79_Au"},
 "mtime": 16.858199896088674,
 "numbers": [79, 79, 79, 79, 16, 16],