diff --git a/materials/sources/mavrl-si-100-r.poscar b/materials/sources/mavrl-si-100-r.poscar index e4f5345..799bf3a 100644 --- a/materials/sources/mavrl-si-100-r.poscar +++ b/materials/sources/mavrl-si-100-r.poscar @@ -1,28 +1,4 @@ -EA0 7.734 3.867 21.875 90.000 90.000 90.000 -1.0000 - 7.733949 0.000000 0.000000 - 0.000000 3.866975 0.000000 - 0.000000 0.000000 21.874912 - Si - 16 -Direct - 0.991208 0.000000 0.786609 - 0.508313 0.000000 0.775584 - 0.997425 0.500000 0.850596 - 0.498162 0.500000 0.836820 - 0.264643 0.500000 0.907008 - 0.736349 0.500000 0.909150 - 0.307094 0.000000 0.970707 - 0.592885 0.000000 0.941019 - 0.157115 0.000000 0.558981 - 0.442906 0.000000 0.529293 - 0.013651 0.500000 0.590850 - 0.485357 0.500000 0.592992 - 0.251838 0.500000 0.663180 - 0.752575 0.500000 0.649404 - 0.241687 0.000000 0.724416 - 0.758792 0.000000 0.713391 -EA0 7.734 3.867 21.875 90.000 90.000 90.000 +Si polymorph #0 (mp-149, Fd3m, Ehull=0.000 eV/atom) (100)* 1.0000 7.733949 0.000000 0.000000 0.000000 3.866975 0.000000