{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.565532 0.11232 0.75 ] [ 0.065532 0.38768 0.25 ] [ 0.934468 0.61232 0.75 ] [ 0.434468 0.88768 0.25 ] [ 0.67393 0.820878 0.927829 ] [ 0.17393 0.679122 0.072171 ] [ 0.82607 0.320878 0.572171 ] [ 0.32607 0.179122 0.427829 ] [ 0.842095 0.039203 0.25 ] [ 0.342095 0.460797 0.75 ] [ 0.657905 0.539203 0.25 ] [ 0.157905 0.960797 0.75 ] [ 0.67393 0.820878 0.572171 ] [ 0.17393 0.679122 0.427829 ] [ 0.82607 0.320878 0.927829 ] [ 0.32607 0.179122 0.072171 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "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" 4.89772993 "source-unit" "angstrom" } "b" { "source-value" 5.53472774 "source-unit" "angstrom" } "c" { "source-value" 7.70890102 "source-unit" "angstrom" } }