{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2_1b" } "basis-atom-coordinates" { "source-value" [ [ 0 0.865701 0.12629 ] [ 0 0.930642 0.586697 ] [ 0 0.430642 0.413303 ] [ 0 0.365701 0.87371 ] [ 0.5 0.169748 0.071881 ] [ 0.5 0.747144 0.383854 ] [ 0.5 0.669748 0.928119 ] [ 0.5 0.247144 0.616146 ] [ 0.5 0.114877 0.343188 ] [ 0.5 0.497687 0.168685 ] [ 0.5 0.997687 0.831315 ] [ 0.5 0.614877 0.656812 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "P" "P" "P" "P" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.38862779 "source-unit" "angstrom" } "b" { "source-value" 6.57027068 "source-unit" "angstrom" } "c" { "source-value" 8.37891905 "source-unit" "angstrom" } }