{ "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" [ [ 0.05502 0.743466 0.884267 ] [ 0.05502 0.756534 0.384267 ] [ 0.94498 0.243466 0.615733 ] [ 0.94498 0.256534 0.115733 ] [ 0.445665 0.968841 0.743861 ] [ 0.554335 0.468841 0.756139 ] [ 0.445665 0.531159 0.243861 ] [ 0.554335 0.031159 0.256139 ] [ 0.156659 0.084275 0.695108 ] [ 0.217045 0.824269 0.6751 ] [ 0.247966 0.365076 0.689054 ] [ 0.397104 0.591713 0.903187 ] [ 0.156659 0.415725 0.195108 ] [ 0.217045 0.675731 0.1751 ] [ 0.247966 0.134924 0.189054 ] [ 0.371564 0.588953 0.521169 ] [ 0.628436 0.088953 0.978831 ] [ 0.397104 0.908287 0.403187 ] [ 0.602896 0.091713 0.596813 ] [ 0.371564 0.911047 0.021169 ] [ 0.628436 0.411047 0.478831 ] [ 0.752034 0.865076 0.810946 ] [ 0.782955 0.324269 0.8249 ] [ 0.843341 0.584275 0.804892 ] [ 0.602896 0.408287 0.096813 ] [ 0.752034 0.634924 0.310946 ] [ 0.782955 0.175731 0.3249 ] [ 0.843341 0.915725 0.304892 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.22577989 "source-unit" "angstrom" } "b" { "source-value" 10.05734309 "source-unit" "angstrom" } "c" { "source-value" 6.64566284 "source-unit" "angstrom" } "beta" { "source-value" 106.51548781 "source-unit" "degree" } }