{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.259903 0.510067 0.147278 ] [ 0.759903 0.489933 0.352722 ] [ 0.240097 0.010067 0.352722 ] [ 0.740097 0.989933 0.147278 ] [ 0.740097 0.489933 0.852722 ] [ 0.240097 0.510067 0.647278 ] [ 0.759903 0.989933 0.647278 ] [ 0.259903 0.010067 0.852722 ] [ 0.5 0.75 0.74994 ] [ 0 0.25 0.75006 ] [ 0.5 0.25 0.25006 ] [ 0 0.75 0.24994 ] [ 0.111882 0.638599 0.897272 ] [ 0.611882 0.361401 0.602728 ] [ 0.388118 0.138599 0.602728 ] [ 0.888118 0.861401 0.897272 ] [ 0.631208 0.617744 0.107082 ] [ 0.131208 0.382256 0.392918 ] [ 0.868792 0.117744 0.392918 ] [ 0.368792 0.882256 0.107082 ] [ 0.368792 0.382256 0.892918 ] [ 0.868792 0.617744 0.607082 ] [ 0.131208 0.882256 0.607082 ] [ 0.631208 0.117744 0.892918 ] [ 0.111882 0.138599 0.102728 ] [ 0.611882 0.861401 0.397272 ] [ 0.388118 0.638599 0.397272 ] [ 0.888118 0.361401 0.102728 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.02664657 "source-unit" "angstrom" } "b" { "source-value" 8.03113294 "source-unit" "angstrom" } "c" { "source-value" 10.77294409 "source-unit" "angstrom" } }