{ "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" [ [ 0.04293 0.5 0.708836 ] [ 0.95707 0.5 0.291164 ] [ 0.54293 0 0.708836 ] [ 0.45707 0 0.291164 ] [ 0.802691 0 0.649869 ] [ 0.165353 0.5 0.100666 ] [ 0.197309 0 0.350131 ] [ 0.346106 0.5 0.423417 ] [ 0.834647 0.5 0.899334 ] [ 0.9017 0 0.052013 ] [ 0.653894 0.5 0.576583 ] [ 0.0983 0 0.947987 ] [ 0.302691 0.5 0.649869 ] [ 0.665353 0 0.100666 ] [ 0.697309 0.5 0.350131 ] [ 0.846106 0 0.423417 ] [ 0.334647 0 0.899334 ] [ 0.4017 0.5 0.052013 ] [ 0.153894 0 0.576583 ] [ 0.5983 0.5 0.947987 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.1720298917 "source-unit" "angstrom" } "b" { "source-value" 5.26759358056 "source-unit" "angstrom" } "c" { "source-value" 12.0698254677 "source-unit" "angstrom" } "beta" { "source-value" 130.81268989 "source-unit" "degree" } }