{ "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" [ [ 0.388884 0.312064 0.25 ] [ 0.611116 0.687936 0.75 ] [ 0.888884 0.187936 0.75 ] [ 0.111116 0.812064 0.25 ] [ 0.811026 0.652903 0.586519 ] [ 0.895615 0.97447 0.25 ] [ 0.311026 0.847097 0.413481 ] [ 0.688974 0.152903 0.913481 ] [ 0.188974 0.347097 0.413481 ] [ 0.811026 0.652903 0.913481 ] [ 0.395615 0.52553 0.75 ] [ 0.688974 0.152903 0.586519 ] [ 0.104385 0.02553 0.75 ] [ 0.188974 0.347097 0.086519 ] [ 0.311026 0.847097 0.086519 ] [ 0.604385 0.47447 0.25 ] [ 0.509225 0.814721 0.75 ] [ 0.990775 0.314721 0.75 ] [ 0.490775 0.185279 0.25 ] [ 0.009225 0.685279 0.25 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.50252421 "source-unit" "angstrom" } "b" { "source-value" 10.41646521 "source-unit" "angstrom" } "c" { "source-value" 10.62522233 "source-unit" "angstrom" } }