{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.920591 0.997874 0.748662 ] [ 0.079409 0.002126 0.251338 ] [ 0.633864 0.585698 0.090404 ] [ 0.366136 0.414302 0.909596 ] [ 0.36736 0.420584 0.405506 ] [ 0.63264 0.579416 0.594494 ] [ 0.961675 0.647102 0.841885 ] [ 0.048716 0.352596 0.666651 ] [ 0.038325 0.352898 0.158115 ] [ 0.951284 0.647404 0.333349 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.495154 0.997081 0.74174 ] [ 0.504846 0.002919 0.25826 ] [ 0.918565 0.719537 0.736623 ] [ 0.076904 0.277985 0.772757 ] [ 0.081435 0.280463 0.263377 ] [ 0.923096 0.722015 0.227243 ] ] } "species" { "source-value" [ "Mo" "Mo" "H" "H" "H" "H" "H" "H" "H" "H" "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" 4.08004151561 "source-unit" "angstrom" } "b" { "source-value" 7.00149827135 "source-unit" "angstrom" } "c" { "source-value" 7.54981362783 "source-unit" "angstrom" } "alpha" { "source-value" 92.5121134901 "source-unit" "degree" } "beta" { "source-value" 91.5119311776 "source-unit" "degree" } "gamma" { "source-value" 99.8154999501 "source-unit" "degree" } }