{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pncm" } "basis-atom-coordinates" { "source-value" [ [ 0.996325 0.693355 0.635415 ] [ 0 0.5 0.868139 ] [ 0 0 0.631861 ] [ 0 0.5 0.131861 ] [ 0.996325 0.806645 0.135415 ] [ 0 0 0.368139 ] [ 0.003675 0.306645 0.635415 ] [ 0.003675 0.306645 0.364585 ] [ 0.996325 0.806645 0.864585 ] [ 0.003675 0.193355 0.135415 ] [ 0.996325 0.693355 0.364585 ] [ 0.003675 0.193355 0.864585 ] [ 0.4579 0.127053 0 ] [ 0.53241 0.150963 0.298091 ] [ 0.46759 0.849037 0.701909 ] [ 0.5 0.5 0.338261 ] [ 0.4579 0.372947 0.5 ] [ 0.5 0 0.838261 ] [ 0.53241 0.349037 0.201909 ] [ 0.46759 0.849037 0.298091 ] [ 0.46759 0.650963 0.798091 ] [ 0.46759 0.650963 0.201909 ] [ 0.538648 0.851151 0.5 ] [ 0.53241 0.349037 0.798091 ] [ 0.5421 0.627053 0.5 ] [ 0.5 0.5 0.661739 ] [ 0.461352 0.148849 0.5 ] [ 0.53241 0.150963 0.701909 ] [ 0.538648 0.648849 0 ] [ 0.5421 0.872947 0 ] [ 0.461352 0.351151 0 ] [ 0.5 0 0.161739 ] [ 0.665294 0.925133 0.096153 ] [ 0.69294 0.064263 0.766673 ] [ 0.69294 0.435737 0.266673 ] [ 0.762192 0.141086 0 ] [ 0.780048 0.847879 0.704216 ] [ 0.30706 0.564263 0.733327 ] [ 0.780048 0.652121 0.795784 ] [ 0.762192 0.358914 0.5 ] [ 0.665294 0.574867 0.403847 ] [ 0.237808 0.858914 0 ] [ 0.76106 0.930658 0.5 ] [ 0.219952 0.152121 0.704216 ] [ 0.30706 0.564263 0.266673 ] [ 0.23894 0.430658 0 ] [ 0.76106 0.569342 0 ] [ 0.219952 0.347879 0.204216 ] [ 0.23894 0.069342 0.5 ] [ 0.237808 0.641086 0.5 ] [ 0.66035 0.355493 0.094855 ] [ 0.663004 0.25 0.75 ] [ 0.334706 0.425133 0.403847 ] [ 0.33965 0.855493 0.405145 ] [ 0.30706 0.935737 0.766673 ] [ 0.665294 0.925133 0.903847 ] [ 0.33965 0.855493 0.594855 ] [ 0.66035 0.144507 0.594855 ] [ 0.69294 0.064263 0.233327 ] [ 0.69294 0.435737 0.733327 ] [ 0.334706 0.074867 0.903847 ] [ 0.698703 0.738852 0.5 ] [ 0.30706 0.935737 0.233327 ] [ 0.219952 0.152121 0.295784 ] [ 0.780048 0.652121 0.204216 ] [ 0.336996 0.75 0.75 ] [ 0.334706 0.425133 0.596153 ] [ 0.66035 0.144507 0.405145 ] [ 0.301297 0.238852 0 ] [ 0.33965 0.644507 0.094855 ] [ 0.66035 0.355493 0.905145 ] [ 0.336996 0.75 0.25 ] [ 0.301297 0.261148 0.5 ] [ 0.219952 0.347879 0.795784 ] [ 0.663004 0.25 0.25 ] [ 0.33965 0.644507 0.905145 ] [ 0.780048 0.847879 0.295784 ] [ 0.334706 0.074867 0.096153 ] [ 0.665294 0.574867 0.596153 ] [ 0.698703 0.761148 0 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "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" "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" 4.58706964 "source-unit" "angstrom" } "b" { "source-value" 12.49146166 "source-unit" "angstrom" } "c" { "source-value" 12.78505413 "source-unit" "angstrom" } }