{ "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" } "basis-atom-coordinates" { "source-value" [ [ 0.425287 0.031229 0.096531 ] [ 0.574713 0.031229 0.903469 ] [ 0.925287 0.968771 0.403469 ] [ 0.074713 0.968771 0.596531 ] [ 0.491553 0.901085 0.383504 ] [ 0.508447 0.901085 0.616496 ] [ 0.991553 0.098915 0.116496 ] [ 0.008447 0.098915 0.883504 ] [ 0.5 0.008332 0.5 ] [ 0 0.991668 0 ] [ 0.5 0.561248 0 ] [ 0 0.438752 0.5 ] [ 0.5 0.127124 0 ] [ 0 0.872876 0.5 ] [ 0.499874 0.63766 0.163568 ] [ 0.500126 0.63766 0.836432 ] [ 0.999874 0.36234 0.336432 ] [ 0.000126 0.36234 0.663568 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 5.36717999786 "source-unit" "angstrom" } "b" { "source-value" 6.2462624287 "source-unit" "angstrom" } "c" { "source-value" 6.78824498737 "source-unit" "angstrom" } }