{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.602253 0.874203 0.038221 ] [ 0.397747 0.874203 0.461779 ] [ 0.102253 0.625797 0.538221 ] [ 0.897747 0.625797 0.961779 ] [ 0.102253 0.374203 0.038221 ] [ 0.897747 0.374203 0.461779 ] [ 0.602253 0.125797 0.538221 ] [ 0.397747 0.125797 0.961779 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.0783511053 "source-unit" "angstrom" } "b" { "source-value" 5.90037791246 "source-unit" "angstrom" } "c" { "source-value" 6.311543731 "source-unit" "angstrom" } "beta" { "source-value" 146.727990277 "source-unit" "degree" } }