{ "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" [ [ 0.334834 0.336763 0.331584 ] [ 0.669192 0.670241 0.665096 ] [ 0.507485 0.038261 0.897128 ] [ 0.063139 0.888361 0.203019 ] [ 0.394257 0.220647 0.537892 ] [ 0.492607 0.971725 0.102187 ] [ 0.825112 0.299141 0.435505 ] [ 0.251093 0.562054 0.955683 ] [ 0.158723 0.629265 0.769148 ] [ 0.834181 0.370186 0.227046 ] [ 0.735589 0.442364 0.045645 ] [ 0.165644 0.700582 0.559338 ] [ 0.270103 0.448509 0.131441 ] [ 0.065156 0.773316 0.380357 ] [ 0.994161 0.997868 0.999174 ] [ 0.603266 0.786396 0.464059 ] [ 0.400516 0.106238 0.714363 ] [ 0.933253 0.110444 0.797454 ] [ 0.606622 0.892847 0.288221 ] [ 0.94154 0.22656 0.621752 ] [ 0.727282 0.556049 0.868979 ] [ 0.698843 0.092535 0.02559 ] [ 0.163737 0.310335 0.225237 ] [ 0.051751 0.423478 0.367359 ] [ 0.559009 0.317919 0.14026 ] [ 0.496413 0.640854 0.55852 ] [ 0.388248 0.756684 0.703278 ] [ 0.116812 0.339438 0.02126 ] [ 0.962152 0.57195 0.140763 ] [ 0.88671 0.646592 0.474028 ] [ 0.821938 0.977801 0.891956 ] [ 0.855936 0.697758 0.272532 ] [ 0.451129 0.672478 0.352668 ] [ 0.294616 0.903283 0.474503 ] [ 0.225752 0.982403 0.811289 ] [ 0.486477 0.647369 0.058516 ] [ 0.190428 0.02817 0.606259 ] [ 0.782002 0.006601 0.685478 ] [ 0.624311 0.22621 0.810067 ] [ 0.37404 0.779941 0.192491 ] [ 0.219225 0.994112 0.312035 ] [ 0.82155 0.976436 0.39481 ] [ 0.499069 0.360711 0.940399 ] [ 0.77109 0.010569 0.186891 ] [ 0.704698 0.115393 0.526528 ] [ 0.551072 0.328541 0.646785 ] [ 0.156096 0.307678 0.727847 ] [ 0.167217 0.007273 0.106892 ] [ 0.102575 0.341248 0.52204 ] [ 0.041659 0.437721 0.858076 ] [ 0.904834 0.647096 0.976882 ] [ 0.634647 0.246867 0.30743 ] [ 0.493479 0.333363 0.439273 ] [ 0.430037 0.681281 0.860597 ] [ 0.968967 0.579738 0.640997 ] [ 0.834629 0.674366 0.772785 ] [ 0.295099 0.907987 0.97261 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "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" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.17782303172 "source-unit" "angstrom" } "b" { "source-value" 6.19325127701 "source-unit" "angstrom" } "c" { "source-value" 18.1518404536 "source-unit" "angstrom" } "alpha" { "source-value" 96.7050341762 "source-unit" "degree" } "beta" { "source-value" 96.8176255978 "source-unit" "degree" } "gamma" { "source-value" 99.648954677 "source-unit" "degree" } }