{ "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 0.312066 0.5 ] [ 0 0.687934 0.5 ] [ 0.5 0.812066 0.5 ] [ 0.5 0.187934 0.5 ] [ 0.804871 0 0.090396 ] [ 0.195129 0 0.909604 ] [ 0.304871 0.5 0.090396 ] [ 0.695129 0.5 0.909604 ] [ 0.197893 0.154537 0.731029 ] [ 0.802107 0.154537 0.268971 ] [ 0.802107 0.845463 0.268971 ] [ 0.197893 0.845463 0.731029 ] [ 0 0 0 ] [ 0.377178 0 0.221112 ] [ 0.622822 0 0.778888 ] [ 0.697893 0.654537 0.731029 ] [ 0.302107 0.654537 0.268971 ] [ 0.302107 0.345463 0.268971 ] [ 0.697893 0.345463 0.731029 ] [ 0.5 0.5 0 ] [ 0.877178 0.5 0.221112 ] [ 0.122822 0.5 0.778888 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "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" 7.11711001 "source-unit" "angstrom" } "b" { "source-value" 8.22352019 "source-unit" "angstrom" } "c" { "source-value" 4.66546711 "source-unit" "angstrom" } "beta" { "source-value" 111.07699925 "source-unit" "degree" } }