{ "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" [ [ 0.009635 0.142909 0.708115 ] [ 0 0.5 0 ] [ 0.490365 0.642909 0.791885 ] [ 0.990365 0.857091 0.291885 ] [ 0.509635 0.357091 0.208115 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.482854 0.682268 0.276993 ] [ 0.017146 0.182268 0.223007 ] [ 0.517146 0.317732 0.723007 ] [ 0.982854 0.817732 0.776993 ] [ 0.328178 0.630885 0.468168 ] [ 0.671822 0.369115 0.531832 ] [ 0.640023 0.401739 0.908154 ] [ 0.171822 0.130885 0.031832 ] [ 0.289143 0.863641 0.804009 ] [ 0.939227 0.641066 0.740575 ] [ 0.828178 0.869115 0.968168 ] [ 0.859977 0.901739 0.591846 ] [ 0.359977 0.598261 0.091846 ] [ 0.560773 0.141066 0.759425 ] [ 0.140023 0.098261 0.408154 ] [ 0.789143 0.636359 0.304009 ] [ 0.710857 0.136359 0.195991 ] [ 0.210857 0.363641 0.695991 ] [ 0.060773 0.358934 0.259425 ] [ 0.439227 0.858934 0.240575 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Er" "Er" "V" "V" "V" "V" "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" 5.57486928083 "source-unit" "angstrom" } "b" { "source-value" 9.84849085 "source-unit" "angstrom" } "c" { "source-value" 7.28508778119 "source-unit" "angstrom" } "beta" { "source-value" 93.1971555931 "source-unit" "degree" } }