{ "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" [ [ 0.575494 0.121937 0.195847 ] [ 0.424506 0.621937 0.804153 ] [ 0.457628 0.44733 0.530063 ] [ 0.542372 0.94733 0.469937 ] [ 0.014407 0.387271 0.779293 ] [ 0.046379 0.198838 0.427496 ] [ 0.985593 0.887271 0.220707 ] [ 0.953621 0.698838 0.572504 ] [ 0.557068 0.124096 0.742884 ] [ 0.442932 0.624096 0.257116 ] [ 0.052141 0.369426 0.233355 ] [ 0.947859 0.869426 0.766645 ] [ 0.529106 0.46114 0.028957 ] [ 0.5748 0.287287 0.470559 ] [ 0.470894 0.96114 0.971043 ] [ 0.4252 0.787287 0.529441 ] [ 0.062569 0.210845 0.965259 ] [ 0.046542 0.038853 0.521624 ] [ 0.937431 0.710845 0.034741 ] [ 0.953458 0.538853 0.478376 ] [ 0.73781 0.299806 0.282782 ] [ 0.682084 0.347628 0.623615 ] [ 0.642156 0.550301 0.466821 ] [ 0.603968 0.928166 0.789282 ] [ 0.640821 0.20315 0.528391 ] [ 0.619716 0.939448 0.173267 ] [ 0.52841 0.550124 0.033678 ] [ 0.47159 0.050124 0.966322 ] [ 0.380284 0.439448 0.826733 ] [ 0.396032 0.428166 0.210718 ] [ 0.359179 0.70315 0.471609 ] [ 0.357844 0.050301 0.533179 ] [ 0.317916 0.847628 0.376385 ] [ 0.26219 0.799806 0.717218 ] [ 0.23696 0.686219 0.036117 ] [ 0.264771 0.298315 0.431896 ] [ 0.187308 0.181409 0.76824 ] [ 0.216109 0.17813 0.157104 ] [ 0.171226 0.933792 0.971891 ] [ 0.10056 0.298288 0.973555 ] [ 0.074908 0.569797 0.281593 ] [ 0.082519 0.585073 0.655729 ] [ 0.971696 0.952914 0.515259 ] [ 0.028304 0.452914 0.484741 ] [ 0.89944 0.798288 0.026445 ] [ 0.917481 0.085073 0.344271 ] [ 0.925092 0.069797 0.718407 ] [ 0.828774 0.433792 0.028109 ] [ 0.783891 0.67813 0.842896 ] [ 0.812692 0.681409 0.23176 ] [ 0.76304 0.186219 0.963883 ] [ 0.735229 0.798315 0.568104 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.93857934098 "source-unit" "angstrom" } "b" { "source-value" 17.48941689 "source-unit" "angstrom" } "c" { "source-value" 6.6913312675 "source-unit" "angstrom" } "beta" { "source-value" 94.0890145843 "source-unit" "degree" } }