{ "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" [ [ 0.975762 0.44007 0.88033 ] [ 0.994281 0.369775 0.691052 ] [ 0.005719 0.630225 0.308948 ] [ 0.024238 0.55993 0.11967 ] [ 0.976474 0.548949 0.751289 ] [ 0.88554 0.234783 0.797444 ] [ 0.608126 0.313756 0.711315 ] [ 0.391874 0.686244 0.288685 ] [ 0.11446 0.765217 0.202556 ] [ 0.023526 0.451051 0.248711 ] [ 0.353854 0.748626 0.43526 ] [ 0.390095 0.115935 0.703818 ] [ 0.769279 0.33244 0.215566 ] [ 0.93685 0.713384 0.820805 ] [ 0.208359 0.96097 0.303944 ] [ 0.370892 0.619761 0.128408 ] [ 0.646146 0.251374 0.56474 ] [ 0.629108 0.380239 0.871592 ] [ 0.791641 0.03903 0.696056 ] [ 0.94742 0.631745 0.610041 ] [ 0.89807 0.768359 0.142576 ] [ 0.10193 0.231641 0.857424 ] [ 0.241719 0.888131 0.09199 ] [ 0.05258 0.368255 0.389959 ] [ 0.514708 0.455775 0.655238 ] [ 0.485292 0.544225 0.344762 ] [ 0.758281 0.111869 0.90801 ] [ 0.609905 0.884065 0.296182 ] [ 0.063149 0.286616 0.179195 ] [ 0.230721 0.66756 0.784434 ] [ 0.910647 0.811778 0.86501 ] [ 0.616609 0.256601 0.198314 ] [ 0.684459 0.042396 0.978359 ] [ 0.642966 0.420829 0.966874 ] [ 0.252877 0.001102 0.698165 ] [ 0.315541 0.957604 0.021641 ] [ 0.456313 0.540868 0.621497 ] [ 0.089353 0.188222 0.13499 ] [ 0.259875 0.076771 0.368772 ] [ 0.332314 0.788191 0.522024 ] [ 0.228873 0.223733 0.895412 ] [ 0.383391 0.743399 0.801686 ] [ 0.072637 0.320192 0.476905 ] [ 0.357034 0.579171 0.033126 ] [ 0.747123 0.998898 0.301835 ] [ 0.740125 0.923229 0.631228 ] [ 0.543687 0.459132 0.378503 ] [ 0.771127 0.776267 0.104588 ] [ 0.927363 0.679808 0.523095 ] [ 0.667686 0.211809 0.477976 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "Os" "Os" "Os" "Os" "Os" "Os" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "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" 8.67996519254 "source-unit" "angstrom" } "b" { "source-value" 9.20605911897 "source-unit" "angstrom" } "c" { "source-value" 11.9673323383 "source-unit" "angstrom" } "alpha" { "source-value" 91.534419081 "source-unit" "degree" } "beta" { "source-value" 98.8632508057 "source-unit" "degree" } "gamma" { "source-value" 117.32578567 "source-unit" "degree" } }