{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmme" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.452308 ] [ 0.25 0 0.547692 ] [ 0.75 0 0.452308 ] [ 0.75 0.5 0.547692 ] [ 0.395595 0 0.784796 ] [ 0.395595 0.5 0.215204 ] [ 0.104405 0.5 0.215204 ] [ 0.104405 0 0.784796 ] [ 0.895595 0.5 0.784796 ] [ 0.895595 0 0.215204 ] [ 0.604405 0 0.215204 ] [ 0.604405 0.5 0.784796 ] [ 0.5 0.75 0 ] [ 0 0.75 0 ] [ 0 0.25 0 ] [ 0.5 0.25 0 ] [ 0.25 0.383288 0.638324 ] [ 0.25 0.116712 0.361676 ] [ 0.25 0.883288 0.361676 ] [ 0.25 0.616712 0.638324 ] [ 0.75 0.883288 0.638324 ] [ 0.75 0.616712 0.361676 ] [ 0.75 0.383288 0.361676 ] [ 0.75 0.116712 0.638324 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 7.64152884 "source-unit" "angstrom" } "b" { "source-value" 11.53106108 "source-unit" "angstrom" } "c" { "source-value" 3.82146281 "source-unit" "angstrom" } }