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Commit e344b1ce authored by Santiago Rigamonti's avatar Santiago Rigamonti
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add data for sige

parent ddc04d4c
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example-data/sige2/1/energy 0 → 100755
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-26309.2192308
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example-data/sige2/1/str.out 0 → 100755
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0.000000000000 5.601250000000 5.601250000000
5.601250000000 0.000000000000 5.601250000000
5.601250000000 5.601250000000 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 Ge
0.500000000000 0.000000000000 0.000000000000 Ge
0.000000000000 0.500000000000 0.000000000000 Si
0.000000000000 0.000000000000 0.500000000000 Ge
0.125000000000 0.125000000000 0.125000000000 Ge
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 Ge
0.625000000000 0.125000000000 0.625000000000 Si
0.625000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.625000000000 0.625000000000 Ge
0.000000000000 0.500000000000 0.500000000000 Ge
0.500000000000 0.000000000000 0.500000000000 Ge
0.500000000000 0.500000000000 0.000000000000 Si
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/10/energy 0 → 100755
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-24502.1113062
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example-data/sige2/10/str.out 0 → 100755
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0.000000000000 5.587062500000 5.587062500000
5.587062500000 0.000000000000 5.587062500000
5.587062500000 5.587062500000 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 Ge
0.500000000000 0.000000000000 0.000000000000 Ge
0.000000000000 0.500000000000 0.000000000000 Si
0.000000000000 0.000000000000 0.500000000000 Si
0.125000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.125000000000 0.625000000000 Ge
0.125000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.625000000000 0.625000000000 Ge
0.625000000000 0.125000000000 0.625000000000 Si
0.625000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.625000000000 0.625000000000 Ge
0.000000000000 0.500000000000 0.500000000000 Si
0.500000000000 0.000000000000 0.500000000000 Ge
0.500000000000 0.500000000000 0.000000000000 Ge
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/11/energy 0 → 100755
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-28116.3195976
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example-data/sige2/11/str.out 0 → 100755
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0.000000000000 5.615437500000 5.615437500000
5.615437500000 0.000000000000 5.615437500000
5.615437500000 5.615437500000 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 Ge
0.500000000000 0.000000000000 0.000000000000 Ge
0.000000000000 0.500000000000 0.000000000000 Si
0.000000000000 0.000000000000 0.500000000000 Ge
0.125000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.125000000000 0.625000000000 Ge
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 Si
0.625000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.625000000000 0.625000000000 Ge
0.000000000000 0.500000000000 0.500000000000 Ge
0.500000000000 0.000000000000 0.500000000000 Ge
0.500000000000 0.500000000000 0.000000000000 Ge
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/12/energy 0 → 100755
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-29923.4231783
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example-data/sige2/12/str.out 0 → 100755
View file @ e344b1ce
0.000000000000 5.629625000000 5.629625000000
5.629625000000 0.000000000000 5.629625000000
5.629625000000 5.629625000000 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 Ge
0.500000000000 0.000000000000 0.000000000000 Ge
0.000000000000 0.500000000000 0.000000000000 Ge
0.000000000000 0.000000000000 0.500000000000 Ge
0.125000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.125000000000 0.625000000000 Ge
0.125000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.625000000000 0.625000000000 Ge
0.625000000000 0.125000000000 0.625000000000 Si
0.625000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.625000000000 0.625000000000 Ge
0.000000000000 0.500000000000 0.500000000000 Ge
0.500000000000 0.000000000000 0.500000000000 Ge
0.500000000000 0.500000000000 0.000000000000 Ge
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/13/energy 0 → 100755
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-31730.5279079
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example-data/sige2/13/str.out 0 → 100755
View file @ e344b1ce
0.000000000000 5.643812500000 5.643812500000
5.643812500000 0.000000000000 5.643812500000
5.643812500000 5.643812500000 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 Ge
0.500000000000 0.000000000000 0.000000000000 Ge
0.000000000000 0.500000000000 0.000000000000 Ge
0.000000000000 0.000000000000 0.500000000000 Ge
0.125000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.125000000000 0.625000000000 Ge
0.125000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.625000000000 0.625000000000 Ge
0.625000000000 0.125000000000 0.625000000000 Ge
0.625000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.625000000000 0.625000000000 Ge
0.000000000000 0.500000000000 0.500000000000 Ge
0.500000000000 0.000000000000 0.500000000000 Ge
0.500000000000 0.500000000000 0.000000000000 Si
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/14/energy 0 → 100755
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-19080.7915442
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example-data/sige2/14/str.out 0 → 100755
View file @ e344b1ce
0.000000000000 5.544500000000 5.544500000000
5.544500000000 0.000000000000 5.544500000000
5.544500000000 5.544500000000 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 Ge
0.500000000000 0.000000000000 0.000000000000 Ge
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 Si
0.125000000000 0.625000000000 0.625000000000 Si
0.625000000000 0.125000000000 0.625000000000 Si
0.625000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.625000000000 0.625000000000 Si
0.000000000000 0.500000000000 0.500000000000 Ge
0.500000000000 0.000000000000 0.500000000000 Ge
0.500000000000 0.500000000000 0.000000000000 Si
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/15/energy 0 → 100755
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-11852.3390725
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example-data/sige2/15/str.out 0 → 100755
View file @ e344b1ce
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 Si
0.125000000000 0.125000000000 0.125000000000 Si
0.125000000000 0.125000000000 0.625000000000 Si
0.125000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.125000000000 0.125000000000 Si
0.125000000000 0.625000000000 0.625000000000 Si
0.625000000000 0.125000000000 0.625000000000 Si
0.625000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.625000000000 0.625000000000 Ge
0.000000000000 0.500000000000 0.500000000000 Ge
0.500000000000 0.000000000000 0.500000000000 Ge
0.500000000000 0.500000000000 0.000000000000 Si
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/16/energy 0 → 100755
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-19080.7890701
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example-data/sige2/16/str.out 0 → 100755
View file @ e344b1ce
0.000000000000 5.544500000000 5.544500000000
5.544500000000 0.000000000000 5.544500000000
5.544500000000 5.544500000000 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 Ge
0.500000000000 0.000000000000 0.000000000000 Ge
0.000000000000 0.500000000000 0.000000000000 Si
0.000000000000 0.000000000000 0.500000000000 Si
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 Ge
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 Ge
0.500000000000 0.500000000000 0.000000000000 Si
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/17/energy 0 → 100755
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-26309.2157134
\ No newline at end of file
example-data/sige2/17/str.out 0 → 100755
View file @ e344b1ce
0.000000000000 5.601250000000 5.601250000000
5.601250000000 0.000000000000 5.601250000000
5.601250000000 5.601250000000 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 Ge
0.500000000000 0.000000000000 0.000000000000 Ge
0.000000000000 0.500000000000 0.000000000000 Si
0.000000000000 0.000000000000 0.500000000000 Ge
0.125000000000 0.125000000000 0.125000000000 Ge
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 Ge
0.625000000000 0.125000000000 0.625000000000 Ge
0.625000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.625000000000 0.625000000000 Ge
0.000000000000 0.500000000000 0.500000000000 Ge
0.500000000000 0.000000000000 0.500000000000 Si
0.500000000000 0.500000000000 0.000000000000 Ge
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/18/energy 0 → 100755
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-11852.3415096
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example-data/sige2/18/str.out 0 → 100755
View file @ e344b1ce
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 Ge
0.500000000000 0.000000000000 0.000000000000 Si
0.000000000000 0.500000000000 0.000000000000 Si
0.000000000000 0.000000000000 0.500000000000 Si
0.125000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.125000000000 0.625000000000 Si
0.125000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.125000000000 0.125000000000 Si
0.125000000000 0.625000000000 0.625000000000 Si
0.625000000000 0.125000000000 0.625000000000 Si
0.625000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.625000000000 0.625000000000 Ge
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 Ge
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