{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1cn" } "basis-atom-coordinates" { "source-value" [ [ 0.407076 0.854272 0.340595 ] [ 0.907076 0.145728 0.659405 ] [ 0.907076 0.645728 0.840595 ] [ 0.407076 0.354272 0.159405 ] [ 0.691479 0.891756 0.277107 ] [ 0.460436 0.86998 0.155366 ] [ 0.960436 0.13002 0.844634 ] [ 0.191479 0.108244 0.722893 ] [ 0.191479 0.608244 0.777107 ] [ 0.960436 0.63002 0.655366 ] [ 0.691479 0.391756 0.222893 ] [ 0.460436 0.36998 0.344634 ] [ 0.023886 0.782412 0.41841 ] [ 0.523886 0.217588 0.58159 ] [ 0.523886 0.717588 0.91841 ] [ 0.023886 0.282412 0.08159 ] [ 0.863447 0.711978 0.503425 ] [ 0.363447 0.288022 0.496575 ] [ 0.363447 0.788022 0.003425 ] [ 0.863447 0.211978 0.996575 ] [ 0.240574 0.767682 0.456374 ] [ 0.740574 0.232318 0.543626 ] [ 0.740574 0.732318 0.956374 ] [ 0.240574 0.267682 0.043626 ] [ 0.967251 0.867454 0.295997 ] [ 0.467251 0.132546 0.704003 ] [ 0.467251 0.632546 0.795997 ] [ 0.967251 0.367454 0.204003 ] [ 0.514122 0.92136 0.259208 ] [ 0.014122 0.07864 0.740792 ] [ 0.014122 0.57864 0.759208 ] [ 0.514122 0.42136 0.240792 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.62348937 "source-unit" "angstrom" } "b" { "source-value" 6.58457401 "source-unit" "angstrom" } "c" { "source-value" 8.9331656 "source-unit" "angstrom" } }