{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.730396 0.75 ] [ 0 0.269604 0.25 ] [ 0.5 0.230396 0.75 ] [ 0.5 0.769604 0.25 ] [ 0.737289 0.069782 0.75 ] [ 0.262711 0.930218 0.25 ] [ 0.737289 0.930218 0.25 ] [ 0.262711 0.069782 0.75 ] [ 0.237289 0.569782 0.75 ] [ 0.762711 0.430218 0.25 ] [ 0.237289 0.430218 0.25 ] [ 0.762711 0.569782 0.75 ] [ 0 0.248497 0.480099 ] [ 0 0.751503 0.980099 ] [ 0 0.248497 0.019901 ] [ 0 0.751503 0.519901 ] [ 0.5 0.748497 0.480099 ] [ 0.5 0.251503 0.980099 ] [ 0.5 0.748497 0.019901 ] [ 0.5 0.251503 0.519901 ] ] } "species" { "source-value" [ "Xe" "Xe" "Xe" "Xe" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.45400020449 "source-unit" "angstrom" } "b" { "source-value" 6.5760262219 "source-unit" "angstrom" } "c" { "source-value" 8.87888732 "source-unit" "angstrom" } }