{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.978025 0.352743 0.251915 ] [ 0.478025 0.147257 0.251915 ] [ 0.521975 0.852743 0.748085 ] [ 0.021975 0.647257 0.748085 ] [ 0.831752 0.661658 0.050839 ] [ 0.331752 0.838342 0.050839 ] [ 0.727045 0.836168 0.452468 ] [ 0.227045 0.663832 0.452468 ] [ 0.772955 0.336168 0.547532 ] [ 0.272955 0.163832 0.547532 ] [ 0.668248 0.161658 0.949161 ] [ 0.168248 0.338342 0.949161 ] [ 0.649509 0.794483 0.116971 ] [ 0.78445 0.483793 0.118058 ] [ 0.728916 0.182315 0.140203 ] [ 0.149509 0.705517 0.116971 ] [ 0.28445 0.016207 0.118058 ] [ 0.228916 0.317685 0.140203 ] [ 0.991121 0.796594 0.384352 ] [ 0.698731 0.323468 0.3591 ] [ 0.632092 0.019174 0.389054 ] [ 0.491121 0.703406 0.384352 ] [ 0.198731 0.176532 0.3591 ] [ 0.132092 0.480826 0.389054 ] [ 0.867908 0.519174 0.610946 ] [ 0.801269 0.823468 0.6409 ] [ 0.508879 0.296594 0.615648 ] [ 0.367908 0.980826 0.610946 ] [ 0.301269 0.676532 0.6409 ] [ 0.008879 0.203406 0.615648 ] [ 0.771084 0.682315 0.859797 ] [ 0.71555 0.983793 0.881942 ] [ 0.850491 0.294483 0.883029 ] [ 0.271084 0.817685 0.859797 ] [ 0.21555 0.516207 0.881942 ] [ 0.350491 0.205517 0.883029 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 5.48477119 "source-unit" "angstrom" } "b" { "source-value" 8.8838848 "source-unit" "angstrom" } "c" { "source-value" 9.67126886 "source-unit" "angstrom" } "beta" { "source-value" 102.96701502 "source-unit" "degree" } }