{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.91198 0.824712 0.746996 ] [ 0.41198 0.175288 0.753004 ] [ 0.41198 0.175288 0.246996 ] [ 0.91198 0.824712 0.253004 ] [ 0.403435 0.651465 0.5 ] [ 0.903435 0.348535 0 ] [ 0.401825 0.674297 0 ] [ 0.901825 0.325703 0.5 ] [ 0.286659 0.832173 0.23732 ] [ 0.786659 0.167827 0.26268 ] [ 0.781292 0.635328 0.5 ] [ 0.281292 0.364672 0 ] [ 0.786659 0.167827 0.73732 ] [ 0.286659 0.832173 0.76268 ] [ 0.746929 0.678774 0 ] [ 0.246929 0.321226 0.5 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.07399126 "source-unit" "angstrom" } "b" { "source-value" 6.33649289 "source-unit" "angstrom" } "c" { "source-value" 7.26837242 "source-unit" "angstrom" } }