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dft_tools/python/converters/plovasp/examples/srvo3/POSCAR
2015-12-01 13:19:24 +01:00

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SrVO3
3.841
1.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 1.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 1.0000000000000000
Sr V O
1 1 3
Direct
0.5 0.5 0.5
0.0 0.0 0.0
0.5 0.0 0.0
0.0 0.5 0.0
0.0 0.0 0.5