{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.425363 0.218031 0.268934 ] [ 0.074637 0.718031 0.268934 ] [ 0.925363 0.281969 0.268934 ] [ 0.574637 0.781969 0.268934 ] [ 0.074637 0.281969 0.731066 ] [ 0.425363 0.781969 0.731066 ] [ 0.574637 0.218031 0.731066 ] [ 0.925363 0.718031 0.731066 ] [ 0.218031 0.425363 0.731066 ] [ 0.718031 0.074637 0.731066 ] [ 0.281969 0.925363 0.731066 ] [ 0.781969 0.574637 0.731066 ] [ 0.281969 0.074637 0.268934 ] [ 0.781969 0.425363 0.268934 ] [ 0.218031 0.574637 0.268934 ] [ 0.718031 0.925363 0.268934 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.378983 0.878983 0.646786 ] [ 0.121017 0.378983 0.646786 ] [ 0.878983 0.621017 0.646786 ] [ 0.621017 0.121017 0.646786 ] [ 0.121017 0.621017 0.353214 ] [ 0.378983 0.121017 0.353214 ] [ 0.621017 0.878983 0.353214 ] [ 0.878983 0.378983 0.353214 ] ] } "species" { "source-value" [ "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "I" "I" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.50250814162 "source-unit" "angstrom" } "c" { "source-value" 5.22290779002 "source-unit" "angstrom" } }