{ "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" [ [ 0.028399 0.049414 0.25 ] [ 0.528399 0.450586 0.75 ] [ 0.471601 0.549414 0.25 ] [ 0.971601 0.950586 0.75 ] [ 0.13846 0.178739 0.091558 ] [ 0.63846 0.321261 0.908442 ] [ 0.36154 0.678739 0.408442 ] [ 0.86154 0.821261 0.591558 ] [ 0.86154 0.821261 0.908442 ] [ 0.36154 0.678739 0.091558 ] [ 0.63846 0.321261 0.591558 ] [ 0.13846 0.178739 0.408442 ] [ 0.71356 0.104587 0.25 ] [ 0.21356 0.395413 0.75 ] [ 0.78644 0.604587 0.25 ] [ 0.28644 0.895413 0.75 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.96102781 "source-unit" "angstrom" } "b" { "source-value" 9.3552715 "source-unit" "angstrom" } "c" { "source-value" 10.97076452 "source-unit" "angstrom" } }