From e952b91960d697b3d126d0c890acb75379d59a15 Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Mon, 13 Nov 2017 14:53:30 +0100
Subject: [PATCH] reorganizing tutorials

---
 .../learning_atomic_charges-checkpoint.ipynb  |   0
 .../learning_atomic_charges.ipynb             |   0
 .../scripts/Visualise.py                      |   0
 .../scripts/__init__.py                       |   0
 .../3366_gap_no_gap_ratio.json                |   0
 .../band_gap_prediction.bkr                   |   0
 .../band_gaps.npy                             | Bin
 .../classifications.npy                       | Bin
 .../coulomb_matrix.npy                        | Bin
 .../energies.npy                              | Bin
 .../ids.npy                                   | Bin
 .../n_atoms.npy                               | Bin
 .../sine_matrix.npy                           | Bin
 .../sorted_coulomb_matrix.npy                 | Bin
 .../sorted_sine_matrix.npy                    | Bin
 {beaker-notebooks => cluster-x}/clusterX.bkr  |   0
 {example-data => cluster-x}/sige1/1/energy    |   0
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 {example-data => cluster-x}/sige1/10/energy   |   0
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 {example-data => cluster-x}/sige1/12/energy   |   0
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 {example-data => cluster-x}/sige1/13/energy   |   0
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 {example-data => cluster-x}/sige1/14/energy   |   0
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 {example-data => cluster-x}/sige1/18/str.out  |   0
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 {example-data => cluster-x}/sige1/allcorr.out |   0
 .../sige1/allenergy.out                       |   0
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 .../sige1/atomstolattice.log                  |   0
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 {example-data => cluster-x}/sige1/config.py   |   0
 .../sige1/corrdump.log                        |   0
 {example-data => cluster-x}/sige1/ece.dat     |   0
 {example-data => cluster-x}/sige1/energy.eci  |   0
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 {example-data => cluster-x}/sige1/lat.in      |   0
 {example-data => cluster-x}/sige1/lat.in.met  |   0
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 {example-data => cluster-x}/sige2/1/energy    |   0
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 {example-data => cluster-x}/sige2/5/energy    |   0
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 {example-data => cluster-x}/sige2/6/energy    |   0
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 {example-data => cluster-x}/sige2/7/energy    |   0
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 {example-data => cluster-x}/sige2/8/energy    |   0
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 {example-data => cluster-x}/sige2/9/energy    |   0
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 {example-data => cluster-x}/sige2/abi.dat     |   0
 {example-data => cluster-x}/sige2/allcorr.out |   0
 .../sige2/allenergy.out                       |   0
 {example-data => cluster-x}/sige2/atoms.xsf   |   0
 .../sige2/atomstolattice.log                  |   0
 .../sige2/clusters.out                        |   0
 {example-data => cluster-x}/sige2/config.py   |   0
 .../sige2/corrdump.log                        |   0
 {example-data => cluster-x}/sige2/ece.dat     |   0
 {example-data => cluster-x}/sige2/energy.eci  |   0
 .../sige2/energy.eci.out                      |   0
 .../sige2/energy.eci.tmp                      |   0
 .../sige2/info_opt.out                        |   0
 {example-data => cluster-x}/sige2/lat.in      |   0
 {example-data => cluster-x}/sige2/lat.in.met  |   0
 .../sige2/metropolis.log                      |   0
 .../sige2/plot_gs_search.gp                   |   0
 .../sige2/plot_optimization.pdf               | Bin
 .../sige2/plot_optimize_clusters.gp           |   0
 {example-data => cluster-x}/sige2/struc.png   | Bin
 {example-data => cluster-x}/sige2/sym.out     |   0
 .../Si_1200K.json                             |   0
 .../Si_2000K.json                             |   0
 .../Si_300K.json                              |   0
 .../Si_TB_1000K.json                          |   0
 .../Si_TB_2000K.json                          |   0
 .../Si_TB_300K.json                           |   0
 {beaker-notebooks => embedding}/Embedding.bkr |   0
 .../Embedding_1.bkr                           |   0
 .../Embedding_advanced_nov23.bkr              |   0
 .../error_bar_binaries.json                   | Bin
 ...ror_bar_calculations_exciting_results01.db | Bin
 ...ror_bar_calculations_exciting_results02.db | Bin
 ...ror_bar_calculations_exciting_results03.db | Bin
 .../error_bar_convergence_VASP_170223.db      | Bin
 .../error_bar_input.json                      |   0
 .../error_bar_monomers.json                   |   0
 .../error_bar_output_VASP_new.json            |   0
 .../errorbars => errorbars}/errorbar_base.py  |   0
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 .../recommended_POTCAR.dat                    |   0
 example-data/sige1/config.pyc                 | Bin 707 -> 0 bytes
 example-data/sige1/config.py~                 |  29 ------------------
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 ...atoms_min32_max128_gauss_disp_0.10A.tar.gz | Bin
 ...atoms_min32_max128_gauss_disp_0.15A.tar.gz | Bin
 ...by_nb_atoms_min32_max128_vacancy_10.tar.gz | Bin
 ...by_nb_atoms_min32_max128_vacancy_30.tar.gz | Bin
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diff --git a/example-data/errorbars/error_bar_convergence_VASP_170223.db b/errorbars/error_bar_convergence_VASP_170223.db
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diff --git a/example-data/errorbars/error_bar_input.json b/errorbars/error_bar_input.json
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diff --git a/example-data/errorbars/errorbar_base.py b/errorbars/errorbar_base.py
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diff --git a/example-data/errorbars/periodic_table_binaries.png b/errorbars/periodic_table_binaries.png
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diff --git a/example-data/errorbars/recommended_POTCAR.dat b/errorbars/recommended_POTCAR.dat
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diff --git a/example-data/sige1/config.pyc b/example-data/sige1/config.pyc
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diff --git a/example-data/sige1/config.py~ b/example-data/sige1/config.py~
deleted file mode 100755
index 00664c3..0000000
--- a/example-data/sige1/config.py~
+++ /dev/null
@@ -1,29 +0,0 @@
-# ab-initio
-CALCULATOR = "exciting"
-EXCITINGBIN = "/home/tutorials/exciting/bin"
-ENERGY_UNITS = "Ha"
-
-# crystal
-PAR_LAT_FILE = "lat.in"
-MET_LAT_FILE = "lat.in.met"
-VEGARDS_LAW = True
-
-CELL_PAR_0 = [[0.0000, 5.4310, 5.4310],
-              [5.4310, 0.0000, 5.4310],
-              [5.4310, 5.4310, 0.0000]]
-
-CELL_PAR_1 = [[0.0000, 5.6580, 5.6580],
-              [5.6580, 0.0000, 5.6580],
-              [5.6580, 5.6580, 0.0000]]
-
-
-# cluster expansion
-ENERGY_CE = "mixingPerSite"
-#ENERGY_CE = "total"
-MAX_RADIUS = 5.0
-MAX_POINTS = 4  
-
-# Ground-state search
-TEMP = 1000 # temperature [K] for the Metropolis sampling
-MAX_N_CONF = 300 # number of configuratons to sample after the last LND structure was found
-
diff --git a/example-data/sige1/tmp/1484904810.52/str.out b/example-data/sige1/tmp/1484904810.52/str.out
deleted file mode 100644
index 66f5cfe..0000000
--- a/example-data/sige1/tmp/1484904810.52/str.out
+++ /dev/null
@@ -1,22 +0,0 @@
-0.000000000000	5.487750000000	5.487750000000
-5.487750000000	0.000000000000	5.487750000000
-5.487750000000	5.487750000000	0.000000000000
-1.000000000000	0.000000000000	0.000000000000
-0.000000000000	1.000000000000	0.000000000000
-0.000000000000	0.000000000000	1.000000000000
-0.000000000000	0.000000000000	0.000000000000	Si
-0.500000000000	0.000000000000	0.000000000000	Si
-0.000000000000	0.500000000000	0.000000000000	Si
-0.000000000000	0.000000000000	0.500000000000	Ge
-0.125000000000	0.125000000000	0.125000000000	Si
-0.125000000000	0.125000000000	0.625000000000	Si
-0.125000000000	0.625000000000	0.125000000000	Ge
-0.625000000000	0.125000000000	0.125000000000	Ge
-0.125000000000	0.625000000000	0.625000000000	Si
-0.625000000000	0.125000000000	0.625000000000	Ge
-0.625000000000	0.625000000000	0.125000000000	Si
-0.625000000000	0.625000000000	0.625000000000	Si
-0.000000000000	0.500000000000	0.500000000000	Si
-0.500000000000	0.000000000000	0.500000000000	Si
-0.500000000000	0.500000000000	0.000000000000	Si
-0.500000000000	0.500000000000	0.500000000000	Si
diff --git a/example-data/sige1/tmp/cell/str1484731059.24.xml b/example-data/sige1/tmp/cell/str1484731059.24.xml
deleted file mode 100755
index 33e6e75..0000000
--- a/example-data/sige1/tmp/cell/str1484731059.24.xml
+++ /dev/null
@@ -1,29 +0,0 @@
-<input>
-  <structure>
-    <crystal>
-      <basevect>0.000000000000 10.316727673349 10.316727673349</basevect>
-      <basevect>10.316727673349 0.000000000000 10.316727673349</basevect>
-      <basevect>10.316727673349 10.316727673349 0.000000000000</basevect>
-    </crystal>
-    <species speciesfile="Ge.xml">
-      <atom coord="0.125000000000  0.125000000000  0.125000000000"></atom>
-      <atom coord="0.625000000000  0.625000000000  0.625000000000"></atom>
-    </species>
-    <species speciesfile="Si.xml">
-      <atom coord="0.000000000000  0.000000000000  0.000000000000"></atom>
-      <atom coord="0.500000000000  0.000000000000  0.000000000000"></atom>
-      <atom coord="0.000000000000  0.500000000000  0.000000000000"></atom>
-      <atom coord="0.000000000000  0.000000000000  0.500000000000"></atom>
-      <atom coord="0.125000000000  0.125000000000  0.625000000000"></atom>
-      <atom coord="0.125000000000  0.625000000000  0.125000000000"></atom>
-      <atom coord="0.625000000000  0.125000000000  0.125000000000"></atom>
-      <atom coord="0.125000000000  0.625000000000  0.625000000000"></atom>
-      <atom coord="0.625000000000  0.125000000000  0.625000000000"></atom>
-      <atom coord="0.625000000000  0.625000000000  0.125000000000"></atom>
-      <atom coord="0.000000000000  0.500000000000  0.500000000000"></atom>
-      <atom coord="0.500000000000  0.000000000000  0.500000000000"></atom>
-      <atom coord="0.500000000000  0.500000000000  0.000000000000"></atom>
-      <atom coord="0.500000000000  0.500000000000  0.500000000000"></atom>
-    </species>
-  </structure>
-</input>
diff --git a/example-data/face-of-crystals/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_Fd-3m.json.filter b/face-of-crystals/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_Fd-3m.json.filter
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diff --git a/example-data/face-of-crystals/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_Fm-3m.json.filter b/face-of-crystals/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_Fm-3m.json.filter
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diff --git a/example-data/face-of-crystals/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_supercell_by_nb_atoms_min32_max128.tar.gz b/face-of-crystals/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_supercell_by_nb_atoms_min32_max128.tar.gz
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diff --git a/example-data/face-of-crystals/RA-tqhSlH5idfPW_3UxE80I7BBL6s_supercell_by_nb_atoms_min32_max128.tar.gz b/face-of-crystals/RA-tqhSlH5idfPW_3UxE80I7BBL6s_supercell_by_nb_atoms_min32_max128.tar.gz
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diff --git a/example-data/face-of-crystals/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_supercell_by_nb_atoms_min32_max128.tar.gz b/face-of-crystals/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_supercell_by_nb_atoms_min32_max128.tar.gz
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diff --git a/example-data/face-of-crystals/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_supercell_by_nb_atoms_min32_max128_gauss_disp_0.05A.tar.gz b/face-of-crystals/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_supercell_by_nb_atoms_min32_max128_gauss_disp_0.05A.tar.gz
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diff --git a/example-data/face-of-crystals/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_supercell_by_nb_atoms_min32_max128_gauss_disp_0.10A.tar.gz b/face-of-crystals/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_supercell_by_nb_atoms_min32_max128_gauss_disp_0.10A.tar.gz
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diff --git a/example-data/face-of-crystals/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_supercell_by_nb_atoms_min32_max128_vacancy_10.tar.gz b/face-of-crystals/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_supercell_by_nb_atoms_min32_max128_vacancy_10.tar.gz
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diff --git a/example-data/face-of-crystals/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_supercell_by_nb_atoms_min32_max128.tar.gz b/face-of-crystals/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_supercell_by_nb_atoms_min32_max128.tar.gz
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diff --git a/example-data/face-of-crystals/bcc_thumbnail.png b/face-of-crystals/bcc_thumbnail.png
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diff --git a/example-data/face-of-crystals/bcc_to_amorphous/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.00.tar.gz b/face-of-crystals/bcc_to_amorphous/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.00.tar.gz
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diff --git a/example-data/face-of-crystals/bcc_to_amorphous/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.10.tar.gz b/face-of-crystals/bcc_to_amorphous/R10ncY1AZG6X9y-Nj8F0_DiN8NeLD_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.10.tar.gz
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diff --git a/example-data/face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.00.tar.gz b/face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.00.tar.gz
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diff --git a/example-data/face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.35.tar.gz b/face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.35.tar.gz
similarity index 100%
rename from example-data/face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.35.tar.gz
rename to face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.35.tar.gz
diff --git a/example-data/face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.40.tar.gz b/face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.40.tar.gz
similarity index 100%
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rename to face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.40.tar.gz
diff --git a/example-data/face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.60.tar.gz b/face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.60.tar.gz
similarity index 100%
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rename to face-of-crystals/bcc_to_amorphous/Rnh_4DFTJQgTSOib4e4d-5GByiTVB_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.60.tar.gz
diff --git a/example-data/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.00.tar.gz b/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.00.tar.gz
similarity index 100%
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rename to face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.00.tar.gz
diff --git a/example-data/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.05.tar.gz b/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.05.tar.gz
similarity index 100%
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rename to face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.05.tar.gz
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similarity index 100%
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rename to face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.10.tar.gz
diff --git a/example-data/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.15.tar.gz b/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.15.tar.gz
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rename to face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.15.tar.gz
diff --git a/example-data/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.20.tar.gz b/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.20.tar.gz
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diff --git a/example-data/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.25.tar.gz b/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.25.tar.gz
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diff --git a/example-data/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.30.tar.gz b/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.30.tar.gz
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diff --git a/example-data/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.35.tar.gz b/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.35.tar.gz
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diff --git a/example-data/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.40.tar.gz b/face-of-crystals/bcc_to_amorphous/RsLoZhSAdK0BopfI2T4B5pLfMyjVN_bcc_only_supercell_by_nb_atoms_min32_max128_gauss_scaled_disp_0.40.tar.gz
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diff --git a/example-data/face-of-crystals/bcc_to_amorphous/descriptor_all_classes_4_samples.tar.gz b/face-of-crystals/bcc_to_amorphous/descriptor_all_classes_4_samples.tar.gz
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PPH3jLInTUGSWvnez_u-r6ZJw_UDJ.json b/nomad_sim/data_zcrs/PPH3jLInTUGSWvnez_u-r6ZJw_UDJ.json
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diff --git a/example-data/nomad_sim/data_zcrs/PPseNqg1AGjYCgMZGvmj3-ihBqjdE.json b/nomad_sim/data_zcrs/PPseNqg1AGjYCgMZGvmj3-ihBqjdE.json
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diff --git a/example-data/nomad_sim/data_zcrs/PQB49fu8BN3kua7uLKQLlT5dWdHi0.json b/nomad_sim/data_zcrs/PQB49fu8BN3kua7uLKQLlT5dWdHi0.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PQBZOvOwgfTe-iY_R_rx_tAHD6FFC.json b/nomad_sim/data_zcrs/PQBZOvOwgfTe-iY_R_rx_tAHD6FFC.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PQESlzgesuFywpq09x-vZ0gikcjPf.json b/nomad_sim/data_zcrs/PQESlzgesuFywpq09x-vZ0gikcjPf.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PQFhJGR6USZg0MrTttQvXm1IiHIdq.json b/nomad_sim/data_zcrs/PQFhJGR6USZg0MrTttQvXm1IiHIdq.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PQUYoBu1tULTvysw2jz8XwBnIeewS.json b/nomad_sim/data_zcrs/PQUYoBu1tULTvysw2jz8XwBnIeewS.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PQemsbzVUUZnBviHLK9konFRXNBfK.json b/nomad_sim/data_zcrs/PQemsbzVUUZnBviHLK9konFRXNBfK.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PQhb3_h4Bo9e5xjhhTUBY_8uOEtTM.json b/nomad_sim/data_zcrs/PQhb3_h4Bo9e5xjhhTUBY_8uOEtTM.json
similarity index 100%
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similarity index 100%
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similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PR2RhvtIMl_2vjNMbFbw9JNTBXQtt.json b/nomad_sim/data_zcrs/PR2RhvtIMl_2vjNMbFbw9JNTBXQtt.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PR4WzLvK6N7BiW799dZWxo4t262pR.json b/nomad_sim/data_zcrs/PR4WzLvK6N7BiW799dZWxo4t262pR.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PRFauEFX8CcvxDcSr16cBOWKwrCpP.json b/nomad_sim/data_zcrs/PRFauEFX8CcvxDcSr16cBOWKwrCpP.json
similarity index 100%
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similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PRGo4gODcM5Ig4OUzVrOH-RuCZySO.json b/nomad_sim/data_zcrs/PRGo4gODcM5Ig4OUzVrOH-RuCZySO.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PRZdkORGZio1WUV8YMccbmPB9omU3.json b/nomad_sim/data_zcrs/PRZdkORGZio1WUV8YMccbmPB9omU3.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PRakENtX-ME-LrbIo19w0RDyRE6Bi.json b/nomad_sim/data_zcrs/PRakENtX-ME-LrbIo19w0RDyRE6Bi.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PRsNV08fCo-3wKSAzyIYfTUV62Is8.json b/nomad_sim/data_zcrs/PRsNV08fCo-3wKSAzyIYfTUV62Is8.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PRw9pdI0xI55Nk_ojPTE-mpGfoWDb.json b/nomad_sim/data_zcrs/PRw9pdI0xI55Nk_ojPTE-mpGfoWDb.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PRzzJL7OHYeejsIvgfG1ph6BAeS_q.json b/nomad_sim/data_zcrs/PRzzJL7OHYeejsIvgfG1ph6BAeS_q.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PS3i4SxrlnWE9AUgOmy00D3f5dMgE.json b/nomad_sim/data_zcrs/PS3i4SxrlnWE9AUgOmy00D3f5dMgE.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PS5Y9ybCdTDLFKtms5kQgqaCg31SW.json b/nomad_sim/data_zcrs/PS5Y9ybCdTDLFKtms5kQgqaCg31SW.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSFiXUNv75SzlqJDfVZ0BFKrSsAax.json b/nomad_sim/data_zcrs/PSFiXUNv75SzlqJDfVZ0BFKrSsAax.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSFkRUy6_MF7RoSq6FbJQPynxz-J2.json b/nomad_sim/data_zcrs/PSFkRUy6_MF7RoSq6FbJQPynxz-J2.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSJLaDGG-ZjQ2AbtLBMh16MMahqq0.json b/nomad_sim/data_zcrs/PSJLaDGG-ZjQ2AbtLBMh16MMahqq0.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSPzRDvSEgueaaIrq9vSI3c_6X1c4.json b/nomad_sim/data_zcrs/PSPzRDvSEgueaaIrq9vSI3c_6X1c4.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSpjyp1ll14qfZF4iQ-fq8tdDa-yj.json b/nomad_sim/data_zcrs/PSpjyp1ll14qfZF4iQ-fq8tdDa-yj.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSsOgAYb96UbwSxoXNthXWpL4QVjn.json b/nomad_sim/data_zcrs/PSsOgAYb96UbwSxoXNthXWpL4QVjn.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSvyfO0p4QEfhh7dUujLdUg8lCNs0.json b/nomad_sim/data_zcrs/PSvyfO0p4QEfhh7dUujLdUg8lCNs0.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSwuESVth946XIEoMmqVaRlxIj2se.json b/nomad_sim/data_zcrs/PSwuESVth946XIEoMmqVaRlxIj2se.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSxDwmOLijdBpg8SE7aLTMbLH_M2B.json b/nomad_sim/data_zcrs/PSxDwmOLijdBpg8SE7aLTMbLH_M2B.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSy2hA53Gi7wXfU9SCowqkmFWD2gp.json b/nomad_sim/data_zcrs/PSy2hA53Gi7wXfU9SCowqkmFWD2gp.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PSzD2TkeF0Gg9fnlc1cNvyK7NL24E.json b/nomad_sim/data_zcrs/PSzD2TkeF0Gg9fnlc1cNvyK7NL24E.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PT14hF0n9syjZ-2mtB4x2E6CigaTm.json b/nomad_sim/data_zcrs/PT14hF0n9syjZ-2mtB4x2E6CigaTm.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PTKoi_zgEHYBObh_mAofPkL0WcxfV.json b/nomad_sim/data_zcrs/PTKoi_zgEHYBObh_mAofPkL0WcxfV.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PTMsm75_4_mTeOp-ZqKwELi5AZJjG.json b/nomad_sim/data_zcrs/PTMsm75_4_mTeOp-ZqKwELi5AZJjG.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PTblqeFaxBY4OhtK_BQ60474ENeHk.json b/nomad_sim/data_zcrs/PTblqeFaxBY4OhtK_BQ60474ENeHk.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PThXOtMKEYNQwDc4UpdzjCwZJpL9A.json b/nomad_sim/data_zcrs/PThXOtMKEYNQwDc4UpdzjCwZJpL9A.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PTho8pRX7nb_spITHw7_oOhWryIzg.json b/nomad_sim/data_zcrs/PTho8pRX7nb_spITHw7_oOhWryIzg.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PTijdgDWu11E79tuyylukptiyCtv2.json b/nomad_sim/data_zcrs/PTijdgDWu11E79tuyylukptiyCtv2.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PTj4JdUchb1YV8Ot1EuQz9RRZ_zsi.json b/nomad_sim/data_zcrs/PTj4JdUchb1YV8Ot1EuQz9RRZ_zsi.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PTpMBViuehNYAOAo5ox_vXvwdEWD1.json b/nomad_sim/data_zcrs/PTpMBViuehNYAOAo5ox_vXvwdEWD1.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PU4cjVlkSYM6E2rZddqNYsFc6qVLr.json b/nomad_sim/data_zcrs/PU4cjVlkSYM6E2rZddqNYsFc6qVLr.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PUAV3TfzEfkEMynAdx4DefR4s6sUK.json b/nomad_sim/data_zcrs/PUAV3TfzEfkEMynAdx4DefR4s6sUK.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PUC2t35p9KOEdmaAyB7I91DoUyae7.json b/nomad_sim/data_zcrs/PUC2t35p9KOEdmaAyB7I91DoUyae7.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PUDiBRLe2pg5Hjvd3kc_20wMbinMI.json b/nomad_sim/data_zcrs/PUDiBRLe2pg5Hjvd3kc_20wMbinMI.json
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diff --git a/example-data/nomad_sim/data_zcrs/PUJUPZHk2jrE1KVUS7H13mKBH4oVR.json b/nomad_sim/data_zcrs/PUJUPZHk2jrE1KVUS7H13mKBH4oVR.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PULp85M-UCJ52e4UaGcyeLDmUeq2Z.json b/nomad_sim/data_zcrs/PULp85M-UCJ52e4UaGcyeLDmUeq2Z.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PUT_umVDXGUamLH1R7nkazwKz95dz.json b/nomad_sim/data_zcrs/PUT_umVDXGUamLH1R7nkazwKz95dz.json
similarity index 100%
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diff --git a/example-data/nomad_sim/data_zcrs/PUcFCGgEnxeFQIWTg8qeByla9jJJg.json b/nomad_sim/data_zcrs/PUcFCGgEnxeFQIWTg8qeByla9jJJg.json
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