{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.24403 0.828883 ] [ 0.25 0.74403 0.671117 ] [ 0.75 0.75597 0.171117 ] [ 0.75 0.25597 0.328883 ] [ 0.25 0.735518 0.438793 ] [ 0.75 0.264482 0.561207 ] [ 0.25 0.235518 0.061207 ] [ 0.75 0.764482 0.938793 ] [ 0.75 0.620907 0.320528 ] [ 0.25 0.379093 0.679472 ] [ 0.75 0.120907 0.179472 ] [ 0.25 0.879093 0.820528 ] [ 0.25 0.140884 0.401861 ] [ 0.75 0.359116 0.901861 ] [ 0.25 0.640884 0.098139 ] [ 0.75 0.859116 0.598139 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "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" 3.94930382 "source-unit" "angstrom" } "b" { "source-value" 6.29178647 "source-unit" "angstrom" } "c" { "source-value" 14.39437613 "source-unit" "angstrom" } }