{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.053 0.881504 0.013582 ] [ 0.980532 0.020433 0.243451 ] [ 0.977301 0.929643 0.748947 ] [ 0.881679 0.179339 0.493849 ] [ 0.539164 0.475689 0.863035 ] [ 0.49891 0.464205 0.152683 ] [ 0.496186 0.48822 0.636221 ] [ 0.035643 0.511126 0.343171 ] [ 0.031295 0.464373 0.908713 ] [ 0.011866 0.448941 0.130975 ] [ 0.004062 0.493873 0.633704 ] [ 0.5243 0.961838 0.1407 ] [ 0.491133 0.96717 0.667533 ] [ 0.518884 0.964208 0.383136 ] [ 0.41075 0.047548 0.837504 ] [ 0.553287 0.453874 0.762184 ] [ 0.657232 0.106253 0.374049 ] [ 0.579433 0.159334 0.8568 ] [ 0.56571 0.186416 0.182467 ] [ 0.489265 0.495043 0.53562 ] [ 0.21187 0.539609 0.133758 ] [ 0.199648 0.566761 0.670499 ] [ 0.167099 0.653663 0.319493 ] [ 0.288874 0.518097 0.918945 ] [ 0.196349 0.279151 0.39715 ] [ 0.180397 0.345808 0.816485 ] [ 0.216073 0.17052 0.137071 ] [ 0.215601 0.209413 0.645991 ] [ 0.00984 0.560012 0.535371 ] [ 0.013298 0.466944 0.019421 ] [ 0.76358 0.681659 0.384672 ] [ 0.871662 0.721018 0.879051 ] [ 0.815513 0.734559 0.142771 ] [ 0.785734 0.733563 0.68587 ] [ 0.32333 0.000015 0.305541 ] [ 0.174775 0.123164 0.93176 ] [ 0.525877 0.873672 0.26142 ] [ 0.134862 0.041862 0.862775 ] [ 0.801867 0.370205 0.14388 ] [ 0.806404 0.394569 0.635019 ] [ 0.000236 0.428086 0.252288 ] [ 0.796376 0.394481 0.905507 ] [ 0.537328 0.926275 0.026644 ] [ 0.600776 0.077295 0.04347 ] [ 0.651692 0.076072 0.596637 ] [ 0.615505 0.174259 0.672651 ] [ 0.440412 0.941311 0.479532 ] [ 0.493591 0.742781 0.858854 ] [ 0.430828 0.743485 0.141074 ] [ 0.389371 0.784261 0.662576 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.35737352 "source-unit" "angstrom" } "b" { "source-value" 7.43945276 "source-unit" "angstrom" } "c" { "source-value" 17.46185343 "source-unit" "angstrom" } "alpha" { "source-value" 86.40206534 "source-unit" "degree" } "beta" { "source-value" 84.92695188 "source-unit" "degree" } "gamma" { "source-value" 61.19132286 "source-unit" "degree" } }