{ "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" [ [ 0.790707 0.96751 0.55984 ] [ 0.147623 0.039042 0.906953 ] [ 0.49875 0.839674 0.254485 ] [ 0.50125 0.339674 0.245515 ] [ 0.852377 0.539042 0.593047 ] [ 0.209293 0.46751 0.94016 ] [ 0.790707 0.53249 0.05984 ] [ 0.147623 0.460958 0.406953 ] [ 0.49875 0.660326 0.754485 ] [ 0.50125 0.160326 0.745515 ] [ 0.852377 0.960958 0.093047 ] [ 0.209293 0.03249 0.44016 ] [ 0.126097 0.261074 0.088945 ] [ 0.824943 0.230068 0.728628 ] [ 0.542693 0.274075 0.422353 ] [ 0.457307 0.774075 0.077647 ] [ 0.175057 0.730068 0.771372 ] [ 0.873903 0.761074 0.411055 ] [ 0.126097 0.238926 0.588945 ] [ 0.824943 0.269932 0.228628 ] [ 0.542693 0.225925 0.922353 ] [ 0.457307 0.725925 0.577647 ] [ 0.175057 0.769932 0.271372 ] [ 0.873903 0.738926 0.911055 ] [ 0.135469 0.671738 0.091714 ] [ 0.816104 0.823564 0.724039 ] [ 0.543345 0.676154 0.429579 ] [ 0.456655 0.176154 0.070421 ] [ 0.183896 0.323564 0.775961 ] [ 0.864531 0.171738 0.408286 ] [ 0.135469 0.828262 0.591714 ] [ 0.816104 0.676436 0.224039 ] [ 0.543345 0.823846 0.929579 ] [ 0.456655 0.323846 0.570421 ] [ 0.183896 0.176436 0.275961 ] [ 0.864531 0.328262 0.908286 ] [ 0.925013 0.502446 0.887216 ] [ 0.655456 0.358567 0.627623 ] [ 0.0338 0.218572 0.962522 ] [ 0.360255 0.26889 0.297818 ] [ 0.581264 0.791907 0.510574 ] [ 0.77555 0.998774 0.674346 ] [ 0.926453 0.854993 0.824459 ] [ 0.258223 0.767894 0.178811 ] [ 0.644334 0.502655 0.464591 ] [ 0.234583 0.644148 0.036424 ] [ 0.61752 0.769186 0.3735 ] [ 0.921415 0.707366 0.69169 ] [ 0.38248 0.269186 0.1265 ] [ 0.078585 0.207366 0.80831 ] [ 0.765417 0.144148 0.463576 ] [ 0.355666 0.002655 0.035409 ] [ 0.741777 0.267894 0.321189 ] [ 0.073547 0.354993 0.675541 ] [ 0.22445 0.498774 0.825654 ] [ 0.639745 0.76889 0.202182 ] [ 0.418736 0.291907 0.989426 ] [ 0.9662 0.718572 0.537478 ] [ 0.344544 0.858567 0.872377 ] [ 0.074987 0.002446 0.612784 ] [ 0.925013 0.997554 0.387216 ] [ 0.655456 0.141433 0.127623 ] [ 0.0338 0.281428 0.462522 ] [ 0.581264 0.708093 0.010574 ] [ 0.360255 0.23111 0.797818 ] [ 0.77555 0.501226 0.174346 ] [ 0.926453 0.645007 0.324459 ] [ 0.258223 0.732106 0.678811 ] [ 0.644334 0.997345 0.964591 ] [ 0.234583 0.855852 0.536424 ] [ 0.921415 0.792634 0.19169 ] [ 0.61752 0.730814 0.8735 ] [ 0.078585 0.292634 0.30831 ] [ 0.38248 0.230814 0.6265 ] [ 0.765417 0.355852 0.963576 ] [ 0.355666 0.497345 0.535409 ] [ 0.741777 0.232106 0.821189 ] [ 0.073547 0.145007 0.175541 ] [ 0.22445 0.001226 0.325654 ] [ 0.418736 0.208093 0.489426 ] [ 0.639745 0.73111 0.702182 ] [ 0.9662 0.781428 0.037478 ] [ 0.344544 0.641433 0.372377 ] [ 0.074987 0.497554 0.112784 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 8.58613282 "source-unit" "angstrom" } "b" { "source-value" 7.71743745 "source-unit" "angstrom" } "c" { "source-value" 17.22887244 "source-unit" "angstrom" } "beta" { "source-value" 117.79343818 "source-unit" "degree" } }