fix: remove duplication in poscar

Exabyte-io · Dec 18, 2024 · edcdf80 · edcdf80
1 parent 754f6d7
commit edcdf80
Showing 1 changed file with 1 addition and 25 deletions.
diff --git 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