{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.688324 0.5 0.820853 ] [ 0.212766 0.8154 0 ] [ 0.5 0.207844 0.232068 ] [ 0.311676 0.5 0.179147 ] [ 0.811676 0 0.320853 ] [ 0.787234 0.8154 0 ] [ 0.5 0.792156 0.767932 ] [ 0.787234 0.1846 0 ] [ 0 0.292156 0.732068 ] [ 0.212766 0.1846 0 ] [ 0 0.707844 0.267932 ] [ 0.188324 0 0.679147 ] [ 0.188324 0 0.320853 ] [ 0.712766 0.3154 0.5 ] [ 0 0.707844 0.732068 ] [ 0.811676 0 0.679147 ] [ 0.311676 0.5 0.820853 ] [ 0.287234 0.3154 0.5 ] [ 0 0.292156 0.267932 ] [ 0.287234 0.6846 0.5 ] [ 0.5 0.792156 0.232068 ] [ 0.712766 0.6846 0.5 ] [ 0.5 0.207844 0.767932 ] [ 0.688324 0.5 0.179147 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.853697 0.5 ] [ 0 0 0.109968 ] [ 0 0 0.890032 ] [ 0.5 0.646303 0 ] [ 0.5 0.353697 0 ] [ 0.5 0.5 0.609968 ] [ 0.5 0.5 0.390032 ] [ 0 0.146303 0.5 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "In" "In" "In" "In" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.50992908553 "source-unit" "angstrom" } "b" { "source-value" 9.94674790697 "source-unit" "angstrom" } "c" { "source-value" 10.148329462 "source-unit" "angstrom" } }