{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.553873 0.5 0.147931 ] [ 0.312252 0.646694 0 ] [ 0.312252 0.353306 0 ] [ 0.687748 0.146694 0.5 ] [ 0.553873 0.5 0.852069 ] [ 0.446127 0 0.352069 ] [ 0.446127 0 0.647931 ] [ 0.687748 0.853306 0.5 ] [ 0.026931 0.5 0.5 ] [ 0.434274 0.5 0 ] [ 0.565726 0 0.5 ] [ 0.973069 0 0 ] [ 0.898158 0.5 0.691689 ] [ 0.101842 0 0.191689 ] [ 0.101842 0 0.808311 ] [ 0.282445 0.5 0.5 ] [ 0.717555 0 0 ] [ 0.898158 0.5 0.308311 ] ] } "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" 4.93735302 "source-unit" "angstrom" } "b" { "source-value" 5.67510286 "source-unit" "angstrom" } "c" { "source-value" 5.75321142 "source-unit" "angstrom" } }