{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.357463 0.25 0.249743 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.15604 0.25 0.784538 ] [ 0.84396 0.75 0.215462 ] [ 0.642537 0.75 0.750257 ] [ 0.435656 0.75 0.273102 ] [ 0.848566 0.25 0.292466 ] [ 0.151434 0.75 0.707534 ] [ 0.564344 0.25 0.726898 ] [ 0.126034 0.25 0.008468 ] [ 0.297894 0.557969 0.224058 ] [ 0.297894 0.942031 0.224058 ] [ 0.59354 0.75 0.485054 ] [ 0.623744 0.25 0.256786 ] [ 0.556925 0.75 0.157768 ] [ 0.105718 0.557996 0.79599 ] [ 0.105718 0.942004 0.79599 ] [ 0.984756 0.25 0.508661 ] [ 0.015244 0.75 0.491339 ] [ 0.894282 0.057996 0.20401 ] [ 0.894282 0.442004 0.20401 ] [ 0.443075 0.25 0.842232 ] [ 0.376256 0.75 0.743214 ] [ 0.40646 0.25 0.514946 ] [ 0.702106 0.057969 0.775942 ] [ 0.702106 0.442031 0.775942 ] [ 0.873966 0.75 0.991532 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "W" "W" "W" "W" "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" 8.57187922 "source-unit" "angstrom" } "b" { "source-value" 7.79125208 "source-unit" "angstrom" } "c" { "source-value" 9.2713445 "source-unit" "angstrom" } "beta" { "source-value" 117.21889243 "source-unit" "degree" } }