{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.238524 0.273835 0.71091 ] [ 0.738524 0.226165 0.28909 ] [ 0.761476 0.773835 0.78909 ] [ 0.261476 0.726165 0.21091 ] [ 0.205716 0.722807 0.484903 ] [ 0.705716 0.777193 0.515097 ] [ 0.794284 0.222807 0.015097 ] [ 0.294284 0.277193 0.984903 ] [ 0.403411 0.653806 0.671612 ] [ 0.903411 0.846194 0.328388 ] [ 0.596589 0.153806 0.828388 ] [ 0.096589 0.346194 0.171612 ] [ 0.097226 0.894971 0.666466 ] [ 0.597226 0.605029 0.333534 ] [ 0.902774 0.394971 0.833534 ] [ 0.402774 0.105029 0.166466 ] [ 0.073087 0.317994 0.424766 ] [ 0.573087 0.182006 0.575234 ] [ 0.926913 0.817994 0.075234 ] [ 0.426913 0.682006 0.924766 ] [ 0.920958 0.38888 0.57313 ] [ 0.420958 0.11112 0.42687 ] [ 0.079042 0.88888 0.92687 ] [ 0.579042 0.61112 0.07313 ] [ 0.433333 0.655526 0.590377 ] [ 0.933333 0.844474 0.409623 ] [ 0.566667 0.155526 0.909623 ] [ 0.066667 0.344474 0.090377 ] [ 0.336065 0.492732 0.704585 ] [ 0.836065 0.007268 0.295415 ] [ 0.663935 0.992732 0.795415 ] [ 0.163935 0.507268 0.204585 ] [ 0.574556 0.702942 0.718901 ] [ 0.074556 0.797058 0.281099 ] [ 0.425444 0.202942 0.781099 ] [ 0.925444 0.297058 0.218901 ] [ 0.092739 0.899805 0.584825 ] [ 0.592739 0.600195 0.415175 ] [ 0.907261 0.399805 0.915175 ] [ 0.407261 0.100195 0.084825 ] [ 0.919395 0.832307 0.706103 ] [ 0.419395 0.667693 0.293897 ] [ 0.25221 0.778373 0.701179 ] [ 0.080605 0.332307 0.793897 ] [ 0.142104 0.055674 0.705603 ] [ 0.642104 0.444326 0.294397 ] [ 0.857896 0.555674 0.794397 ] [ 0.357896 0.944326 0.205603 ] [ 0.465094 0.667758 0.140028 ] [ 0.965094 0.832242 0.859972 ] [ 0.534906 0.167758 0.359972 ] [ 0.034906 0.332242 0.640028 ] [ 0.787254 0.671254 0.087124 ] [ 0.287254 0.828746 0.912876 ] [ 0.212746 0.171254 0.412876 ] [ 0.712746 0.328746 0.587124 ] [ 0.505982 0.721788 0.006448 ] [ 0.005982 0.778212 0.993552 ] [ 0.494018 0.221788 0.493552 ] [ 0.994018 0.278212 0.506448 ] [ 0.577788 0.438886 0.057686 ] [ 0.077788 0.061114 0.942314 ] [ 0.422212 0.938886 0.442314 ] [ 0.922212 0.561114 0.557686 ] [ 0.589962 0.722418 0.873484 ] [ 0.089962 0.777582 0.126516 ] [ 0.410038 0.222418 0.626516 ] [ 0.910038 0.277582 0.373484 ] [ 0.338916 0.524859 0.91718 ] [ 0.838916 0.975141 0.08282 ] [ 0.661084 0.024859 0.58282 ] [ 0.161084 0.475141 0.41718 ] [ 0.24779 0.221627 0.201179 ] [ 0.74779 0.278373 0.798821 ] [ 0.75221 0.721627 0.298821 ] [ 0.580605 0.167693 0.206103 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ag" "Ag" "Ag" "Ag" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 7.20819699 "source-unit" "angstrom" } "b" { "source-value" 8.4129051 "source-unit" "angstrom" } "c" { "source-value" 18.05070935 "source-unit" "angstrom" } }