{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.475672 0.870324 0.245979 ] [ 0.975672 0.629676 0.245979 ] [ 0.524328 0.129676 0.754021 ] [ 0.024328 0.370324 0.754021 ] [ 0.981022 0.732723 0.453274 ] [ 0.518978 0.232723 0.546726 ] [ 0.018978 0.267277 0.546726 ] [ 0.481022 0.767277 0.453274 ] [ 0.149533 0.521545 0.303301 ] [ 0.649533 0.978455 0.303301 ] [ 0.850467 0.478455 0.696699 ] [ 0.350467 0.021545 0.696699 ] [ 0.485592 0.65916 0.662567 ] [ 0.014408 0.15916 0.337433 ] [ 0.514408 0.34084 0.337433 ] [ 0.985592 0.84084 0.662567 ] [ 0.574757 0.828659 0.019643 ] [ 0.925243 0.328659 0.980357 ] [ 0.425243 0.171341 0.980357 ] [ 0.074757 0.671341 0.019643 ] [ 0.19572 0.921908 0.169613 ] [ 0.30428 0.421908 0.830387 ] [ 0.80428 0.078092 0.830387 ] [ 0.69572 0.578092 0.169613 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "Au" "Au" "Au" "Au" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.53018305696 "source-unit" "angstrom" } "b" { "source-value" 15.20182074 "source-unit" "angstrom" } "c" { "source-value" 7.70931892311 "source-unit" "angstrom" } "beta" { "source-value" 95.4891315005 "source-unit" "degree" } }