{ "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" [ [ 0.362873 0.643222 0.225888 ] [ 0.637127 0.356778 0.774112 ] [ 0.25801 0.100957 0.047408 ] [ 0.74199 0.899043 0.952592 ] [ 0.948581 0.178479 0.321956 ] [ 0.051419 0.821521 0.678044 ] [ 0.237893 0.107364 0.896758 ] [ 0.762107 0.892636 0.103242 ] [ 0.848815 0.398549 0.216722 ] [ 0.151185 0.601451 0.783278 ] [ 0.272949 0.152611 0.31404 ] [ 0.727051 0.847389 0.68596 ] ] } "species" { "source-value" [ "K" "K" "H" "H" "Se" "Se" "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" 5.20416069909 "source-unit" "angstrom" } "b" { "source-value" 5.85244955091 "source-unit" "angstrom" } "c" { "source-value" 6.82114039657 "source-unit" "angstrom" } "alpha" { "source-value" 109.060233778 "source-unit" "degree" } "beta" { "source-value" 107.934270949 "source-unit" "degree" } "gamma" { "source-value" 91.2878991128 "source-unit" "degree" } }