{ "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" [ [ 0.279816 0 0.25 ] [ 0.720184 0 0.75 ] [ 0.779816 0.5 0.25 ] [ 0.220184 0.5 0.75 ] [ 0.994586 0.251352 0.75 ] [ 0.005414 0.251352 0.25 ] [ 0.994586 0.748648 0.75 ] [ 0.005414 0.748648 0.25 ] [ 0.494586 0.751352 0.75 ] [ 0.505414 0.751352 0.25 ] [ 0.494586 0.248648 0.75 ] [ 0.505414 0.248648 0.25 ] [ 0.241215 0 0.051551 ] [ 0.241215 0 0.448449 ] [ 0.758785 0 0.551551 ] [ 0.758785 0 0.948449 ] [ 0.741215 0.5 0.051551 ] [ 0.741215 0.5 0.448449 ] [ 0.258785 0.5 0.551551 ] [ 0.258785 0.5 0.948449 ] ] } "species" { "source-value" [ "W" "W" "W" "W" "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" 5.48289268 "source-unit" "angstrom" } "b" { "source-value" 5.49365338 "source-unit" "angstrom" } "c" { "source-value" 9.49349197 "source-unit" "angstrom" } }