{ "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" [ [ 0.726625 0.41077 0.916811 ] [ 0.226625 0.08923 0.083189 ] [ 0.273375 0.91077 0.583189 ] [ 0.773375 0.58923 0.416811 ] [ 0.52589 0.55137 0.987129 ] [ 0.02589 0.94863 0.012871 ] [ 0.47411 0.05137 0.512871 ] [ 0.97411 0.44863 0.487129 ] [ 0.94562 0.623824 0.246299 ] [ 0.44562 0.876176 0.753701 ] [ 0.05438 0.123824 0.253701 ] [ 0.55438 0.376176 0.746299 ] [ 0.553837 0.416204 0.350012 ] [ 0.053837 0.083796 0.649988 ] [ 0.446163 0.916204 0.149988 ] [ 0.946163 0.583796 0.850012 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "H" "H" "H" "H" "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" 4.68247961 "source-unit" "angstrom" } "b" { "source-value" 6.53746179 "source-unit" "angstrom" } "c" { "source-value" 8.12772309 "source-unit" "angstrom" } }