{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.226824 0.945999 0.651521 ] [ 0.773176 0.445999 0.848479 ] [ 0.773176 0.054001 0.348479 ] [ 0.226824 0.554001 0.151521 ] [ 0.285644 0.550586 0.575583 ] [ 0.714356 0.050586 0.924417 ] [ 0.714356 0.449414 0.424417 ] [ 0.285644 0.949414 0.075583 ] [ 0.072513 0.251243 0.738899 ] [ 0.927487 0.751243 0.761101 ] [ 0.927487 0.748757 0.261101 ] [ 0.072513 0.248757 0.238899 ] [ 0.421202 0.231193 0.533233 ] [ 0.578798 0.731193 0.966767 ] [ 0.578798 0.768807 0.466767 ] [ 0.421202 0.268807 0.033233 ] [ 0.899801 0.218326 0.837268 ] [ 0.100199 0.718326 0.662732 ] [ 0.100199 0.781674 0.162732 ] [ 0.899801 0.281674 0.337268 ] [ 0.946099 0.407519 0.654203 ] [ 0.053901 0.907519 0.845797 ] [ 0.053901 0.592481 0.345797 ] [ 0.946099 0.092481 0.154203 ] [ 0.994164 0.119544 0.597351 ] [ 0.005836 0.619544 0.902649 ] [ 0.005836 0.880456 0.402649 ] [ 0.994164 0.380456 0.097351 ] [ 0.226 0.376807 0.917438 ] [ 0.774 0.876807 0.582562 ] [ 0.774 0.623193 0.082562 ] [ 0.226 0.123193 0.417438 ] [ 0.256515 0.186575 0.139556 ] [ 0.743485 0.686575 0.360444 ] [ 0.743485 0.813425 0.860444 ] [ 0.256515 0.313425 0.639556 ] [ 0.499189 0.401081 0.174281 ] [ 0.500811 0.901081 0.325719 ] [ 0.500811 0.598919 0.825719 ] [ 0.499189 0.098919 0.674281 ] [ 0.589162 0.209012 0.429806 ] [ 0.410838 0.709012 0.070194 ] [ 0.264733 0.134714 0.862345 ] [ 0.589162 0.290988 0.929806 ] [ 0.553589 0.395459 0.608691 ] [ 0.446411 0.895459 0.891309 ] [ 0.446411 0.604541 0.391309 ] [ 0.553589 0.104541 0.108691 ] [ 0.264733 0.365286 0.362345 ] [ 0.735267 0.865286 0.137655 ] [ 0.735267 0.634714 0.637655 ] [ 0.410838 0.790988 0.570194 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "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" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.82000476965 "source-unit" "angstrom" } "b" { "source-value" 10.06301207 "source-unit" "angstrom" } "c" { "source-value" 9.40098681748 "source-unit" "angstrom" } "beta" { "source-value" 107.637929207 "source-unit" "degree" } }