{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.125244 0.874756 0.374756 ] [ 0.252709 0.752709 0.747291 ] [ 0.247291 0.247291 0.247291 ] [ 0.374756 0.125244 0.874756 ] [ 0.625244 0.625244 0.625244 ] [ 0.752709 0.747291 0.252709 ] [ 0.747291 0.252709 0.752709 ] [ 0.874756 0.374756 0.125244 ] [ 0.128027 0.623746 0.124563 ] [ 0.123746 0.375437 0.871973 ] [ 0.124563 0.128027 0.623746 ] [ 0.375437 0.871973 0.123746 ] [ 0.376254 0.624563 0.371973 ] [ 0.371973 0.376254 0.624563 ] [ 0.628027 0.876254 0.875437 ] [ 0.623746 0.124563 0.128027 ] [ 0.624563 0.371973 0.376254 ] [ 0.875437 0.628027 0.876254 ] [ 0.876254 0.875437 0.628027 ] [ 0.871973 0.123746 0.375437 ] [ 0.998142 0.501858 0.498142 ] [ 0.501858 0.498142 0.998142 ] [ 0.498142 0.998142 0.501858 ] [ 0.001858 0.001858 0.001858 ] [ 0.106719 0.126638 0.397817 ] [ 0.102183 0.893281 0.626638 ] [ 0.113824 0.613824 0.886176 ] [ 0.126638 0.397817 0.106719 ] [ 0.125395 0.147428 0.863359 ] [ 0.139999 0.360001 0.639999 ] [ 0.136641 0.625395 0.352572 ] [ 0.147428 0.863359 0.125395 ] [ 0.352572 0.136641 0.625395 ] [ 0.363359 0.374605 0.852572 ] [ 0.360001 0.639999 0.139999 ] [ 0.374605 0.852572 0.363359 ] [ 0.373362 0.602183 0.606719 ] [ 0.386176 0.386176 0.386176 ] [ 0.397817 0.106719 0.126638 ] [ 0.393281 0.873362 0.897817 ] [ 0.606719 0.373362 0.602183 ] [ 0.602183 0.606719 0.373362 ] [ 0.613824 0.886176 0.113824 ] [ 0.626638 0.102183 0.893281 ] [ 0.625395 0.352572 0.136641 ] [ 0.639999 0.139999 0.360001 ] [ 0.636641 0.874605 0.647428 ] [ 0.647428 0.636641 0.874605 ] [ 0.852572 0.363359 0.374605 ] [ 0.863359 0.125395 0.147428 ] [ 0.860001 0.860001 0.860001 ] [ 0.874605 0.647428 0.636641 ] [ 0.873362 0.897817 0.393281 ] [ 0.886176 0.113824 0.613824 ] [ 0.897817 0.393281 0.873362 ] [ 0.893281 0.626638 0.102183 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.29255068 "source-unit" "angstrom" } }