{ "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 0 ] [ 0.5 0.5 0 ] [ 0.633262 0 0.29516 ] [ 0 0 0.5 ] [ 0.366738 0 0.70484 ] [ 0.133262 0.5 0.29516 ] [ 0.5 0.5 0.5 ] [ 0.866738 0.5 0.70484 ] [ 0.027623 0.248803 0.319967 ] [ 0.972377 0.248803 0.680033 ] [ 0.972377 0.751197 0.680033 ] [ 0.027623 0.751197 0.319967 ] [ 0.2204 0 0.562288 ] [ 0.7796 0 0.437712 ] [ 0.688164 0 0.102017 ] [ 0.311836 0 0.897983 ] [ 0.527623 0.748803 0.319967 ] [ 0.472377 0.748803 0.680033 ] [ 0.472377 0.251197 0.680033 ] [ 0.527623 0.251197 0.319967 ] [ 0.7204 0.5 0.562288 ] [ 0.2796 0.5 0.437712 ] [ 0.188164 0.5 0.102017 ] [ 0.811836 0.5 0.897983 ] ] } "species" { "source-value" [ "K" "K" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "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" 8.87232643936 "source-unit" "angstrom" } "b" { "source-value" 5.52948581562 "source-unit" "angstrom" } "c" { "source-value" 7.85729903581 "source-unit" "angstrom" } "beta" { "source-value" 93.6622487679 "source-unit" "degree" } }