{ "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" [ [ 0.508969 0.735661 0.514096 ] [ 0.491031 0.235661 0.485904 ] [ 0.994892 0.878296 0.439537 ] [ 0.977436 0.096354 0.430994 ] [ 0.884299 0.672707 0.918797 ] [ 0.778598 0.321624 0.883608 ] [ 0.221402 0.821624 0.116392 ] [ 0.115701 0.172707 0.081203 ] [ 0.022564 0.596354 0.569006 ] [ 0.005108 0.378296 0.560463 ] [ 0.947173 0.269234 0.054859 ] [ 0.96151 0.11334 0.218488 ] [ 0.003277 0.354588 0.768526 ] [ 0.934635 0.488783 0.536156 ] [ 0.87808 0.61844 0.086723 ] [ 0.816848 0.656134 0.455757 ] [ 0.796808 0.325749 0.433207 ] [ 0.734061 0.864439 0.483326 ] [ 0.719601 0.108569 0.481487 ] [ 0.633774 0.704922 0.800549 ] [ 0.633717 0.240578 0.766017 ] [ 0.642734 0.40358 0.93927 ] [ 0.357266 0.90358 0.06073 ] [ 0.366283 0.740578 0.233983 ] [ 0.366226 0.204922 0.199451 ] [ 0.280399 0.608569 0.518513 ] [ 0.265939 0.364439 0.516674 ] [ 0.203192 0.825749 0.566793 ] [ 0.183152 0.156134 0.544243 ] [ 0.12192 0.11844 0.913277 ] [ 0.065365 0.988783 0.463844 ] [ 0.996723 0.854588 0.231474 ] [ 0.03849 0.61334 0.781512 ] [ 0.052827 0.769234 0.945141 ] ] } "species" { "source-value" [ "Sb" "Sb" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.41604235764 "source-unit" "angstrom" } "b" { "source-value" 14.00712978 "source-unit" "angstrom" } "c" { "source-value" 7.39178984701 "source-unit" "angstrom" } "beta" { "source-value" 100.151317016 "source-unit" "degree" } }