{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.849208 0.685314 0.240845 ] [ 0.015414 0.808504 0.990854 ] [ 0.984586 0.191496 0.490854 ] [ 0.150792 0.685314 0.740845 ] [ 0.571423 0 0.974285 ] [ 0.428577 0 0.474285 ] [ 0.849208 0.314686 0.240845 ] [ 0.984586 0.808504 0.490854 ] [ 0.015414 0.191496 0.990854 ] [ 0.150792 0.314686 0.740845 ] [ 0.349208 0.185314 0.240845 ] [ 0.515414 0.308504 0.990854 ] [ 0.484586 0.691496 0.490854 ] [ 0.650792 0.185314 0.740845 ] [ 0.071423 0.5 0.974285 ] [ 0.928577 0.5 0.474285 ] [ 0.349208 0.814686 0.240845 ] [ 0.484586 0.308504 0.490854 ] [ 0.515414 0.691496 0.990854 ] [ 0.650792 0.814686 0.740845 ] [ 0.791803 0 0.252192 ] [ 0.208197 0 0.752192 ] [ 0.291803 0.5 0.252192 ] [ 0.708197 0.5 0.752192 ] [ 0.90244 0 0.77678 ] [ 0.09756 0 0.27678 ] [ 0.40244 0.5 0.77678 ] [ 0.59756 0.5 0.27678 ] [ 0.675167 0.137011 0.368603 ] [ 0.324833 0.862989 0.868603 ] [ 0.719935 0.136007 0.123069 ] [ 0.324833 0.137011 0.868603 ] [ 0.675167 0.862989 0.368603 ] [ 0.719935 0.863993 0.123069 ] [ 0.280065 0.136007 0.623069 ] [ 0.280065 0.863993 0.623069 ] [ 0.175167 0.637011 0.368603 ] [ 0.824833 0.362989 0.868603 ] [ 0.219935 0.636007 0.123069 ] [ 0.824833 0.637011 0.868603 ] [ 0.175167 0.362989 0.368603 ] [ 0.219935 0.363993 0.123069 ] [ 0.780065 0.636007 0.623069 ] [ 0.780065 0.363993 0.623069 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "W" "W" "W" "W" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.84723125912 "source-unit" "angstrom" } "b" { "source-value" 9.99366962844 "source-unit" "angstrom" } "c" { "source-value" 10.7719749 "source-unit" "angstrom" } }