{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.313616 0.5 ] [ 0 0.686384 0.5 ] [ 0.5 0.813616 0.5 ] [ 0.5 0.186384 0.5 ] [ 0.780337 0 0.092721 ] [ 0.219663 0 0.907279 ] [ 0.280337 0.5 0.092721 ] [ 0.719663 0.5 0.907279 ] [ 0.228164 0.15376 0.722953 ] [ 0.771836 0.15376 0.277047 ] [ 0.771836 0.84624 0.277047 ] [ 0.228164 0.84624 0.722953 ] [ 0 0 0 ] [ 0.620156 0 0.783834 ] [ 0.379844 0 0.216166 ] [ 0.728164 0.65376 0.722953 ] [ 0.271836 0.65376 0.277047 ] [ 0.271836 0.34624 0.277047 ] [ 0.728164 0.34624 0.722953 ] [ 0.5 0.5 0 ] [ 0.120156 0.5 0.783834 ] [ 0.879844 0.5 0.216166 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 6.49495411425 "source-unit" "angstrom" } "b" { "source-value" 8.33819154185 "source-unit" "angstrom" } "c" { "source-value" 4.5164707241 "source-unit" "angstrom" } "beta" { "source-value" 103.111339769 "source-unit" "degree" } }