{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.254903 0.001363 0.742667 ] [ 0.745097 0.501363 0.257333 ] [ 0.376245 0.653224 0.918738 ] [ 0.623755 0.153224 0.081262 ] [ 0.859224 0.84744 0.429107 ] [ 0.140776 0.34744 0.570893 ] [ 0.378613 0.648205 0.527606 ] [ 0.621387 0.148205 0.472394 ] [ 0.889403 0.850916 0.023176 ] [ 0.110597 0.350916 0.976824 ] [ 0.778733 0.481011 0.757379 ] [ 0.221267 0.981011 0.242621 ] [ 0.331453 0.465196 0.074222 ] [ 0.260222 0.803699 0.575858 ] [ 0.397565 0.172376 0.573612 ] [ 0.503171 0.557517 0.708814 ] [ 0.668547 0.965196 0.925778 ] [ 0.763138 0.699631 0.07381 ] [ 0.496829 0.057517 0.291186 ] [ 0.602435 0.672376 0.426388 ] [ 0.885733 0.325618 0.073901 ] [ 0.025392 0.932177 0.215406 ] [ 0.739778 0.303699 0.424142 ] [ 0.853302 0.042623 0.578641 ] [ 0.974608 0.432177 0.784594 ] [ 0.114267 0.825618 0.926099 ] [ 0.236862 0.199631 0.92619 ] [ 0.146698 0.542623 0.421359 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "H" "H" "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" 5.05438851 "source-unit" "angstrom" } "b" { "source-value" 8.57133913 "source-unit" "angstrom" } "c" { "source-value" 7.76696864 "source-unit" "angstrom" } "beta" { "source-value" 104.31322439 "source-unit" "degree" } }