{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.783679 0.878084 0.684264 ] [ 0.283679 0.621916 0.315736 ] [ 0.216321 0.378084 0.815736 ] [ 0.716321 0.121916 0.184264 ] [ 0.416373 0.367697 0.072245 ] [ 0.916373 0.132303 0.927755 ] [ 0.583627 0.867697 0.427755 ] [ 0.083627 0.632303 0.572245 ] [ 0.431673 0.117031 0.752501 ] [ 0.931673 0.382969 0.247499 ] [ 0.568327 0.617031 0.747499 ] [ 0.068327 0.882969 0.252501 ] [ 0.532995 0.858838 0.094296 ] [ 0.032995 0.641162 0.905704 ] [ 0.467005 0.358838 0.405704 ] [ 0.967005 0.141162 0.594296 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.24846082 "source-unit" "angstrom" } "b" { "source-value" 5.54243707 "source-unit" "angstrom" } "c" { "source-value" 7.56825163 "source-unit" "angstrom" } }