{ "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" [ [ 0.251506 0.156464 0.796393 ] [ 0.748494 0.843536 0.203607 ] [ 0.531592 0.781782 0.67145 ] [ 0.256787 0.668272 0.839922 ] [ 0.743213 0.331728 0.160078 ] [ 0.468408 0.218218 0.32855 ] [ 0.307884 0.242738 0.551169 ] [ 0.692116 0.757262 0.448831 ] [ 0.236022 0.935029 0.126078 ] [ 0.763978 0.064971 0.873922 ] [ 0.136467 0.411269 0.827892 ] [ 0.863533 0.588731 0.172108 ] [ 0.40527 0.7892 0.7926 ] [ 0.59473 0.2108 0.2074 ] ] } "species" { "source-value" [ "Mo" "Mo" "H" "H" "H" "H" "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" 3.729649784 "source-unit" "angstrom" } "b" { "source-value" 6.54214838819 "source-unit" "angstrom" } "c" { "source-value" 7.67760046564 "source-unit" "angstrom" } "alpha" { "source-value" 66.4568653252 "source-unit" "degree" } "beta" { "source-value" 80.9672540021 "source-unit" "degree" } "gamma" { "source-value" 76.7410040412 "source-unit" "degree" } }