{ "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" [ [ 0.011426 0.249078 0.760227 ] [ 0.37582 0.323217 0.9372 ] [ 0.62418 0.676783 0.0628 ] [ 0.988574 0.749078 0.739773 ] [ 0.011426 0.250922 0.260227 ] [ 0.62418 0.823217 0.5628 ] [ 0.37582 0.176783 0.4372 ] [ 0.988574 0.750922 0.239773 ] [ 0.491081 0.695838 0.7693 ] [ 0.629224 0.506631 0.853883 ] [ 0.15622 0.136977 0.020204 ] [ 0.84378 0.636977 0.479796 ] [ 0.370776 0.006631 0.646117 ] [ 0.111798 0.642811 0.004656 ] [ 0.15622 0.363023 0.520204 ] [ 0.508919 0.195838 0.7307 ] [ 0.491081 0.804162 0.2693 ] [ 0.508919 0.304162 0.2307 ] [ 0.629224 0.993369 0.353883 ] [ 0.84378 0.863023 0.979796 ] [ 0.888202 0.357189 0.995344 ] [ 0.111798 0.857189 0.504656 ] [ 0.888202 0.142811 0.495344 ] [ 0.370776 0.493369 0.146117 ] [ 0.34081 0.874636 0.946224 ] [ 0.109739 0.981311 0.221803 ] [ 0.890261 0.018689 0.778197 ] [ 0.65919 0.125364 0.053776 ] [ 0.109739 0.518689 0.721803 ] [ 0.890261 0.481311 0.278197 ] [ 0.34081 0.625364 0.446224 ] [ 0.65919 0.374636 0.553776 ] [ 0.700628 0.235665 0.214787 ] [ 0.310222 0.709004 0.03294 ] [ 0.674866 0.750434 0.713286 ] [ 0.937482 0.666759 0.094266 ] [ 0.299372 0.764335 0.785213 ] [ 0.062518 0.166759 0.405734 ] [ 0.733727 0.490894 0.733556 ] [ 0.018312 0.852762 0.36119 ] [ 0.062518 0.333241 0.905734 ] [ 0.700628 0.264335 0.714787 ] [ 0.325134 0.250434 0.786714 ] [ 0.244174 0.032 0.041652 ] [ 0.674866 0.749566 0.213286 ] [ 0.755826 0.968 0.958348 ] [ 0.420873 0.379551 0.106336 ] [ 0.648601 0.709628 0.466242 ] [ 0.018312 0.647238 0.86119 ] [ 0.985946 0.644721 0.615233 ] [ 0.325134 0.249566 0.286714 ] [ 0.244174 0.468 0.541652 ] [ 0.266273 0.509106 0.266444 ] [ 0.351399 0.290372 0.533758 ] [ 0.985946 0.855279 0.115233 ] [ 0.689778 0.290996 0.96706 ] [ 0.601649 0.383506 0.324557 ] [ 0.420873 0.120449 0.606336 ] [ 0.014054 0.144721 0.884767 ] [ 0.579127 0.879551 0.393664 ] [ 0.799235 0.031006 0.47137 ] [ 0.988336 0.653118 0.369218 ] [ 0.011664 0.346882 0.630782 ] [ 0.011664 0.153118 0.130782 ] [ 0.014054 0.355279 0.384767 ] [ 0.398351 0.883506 0.175443 ] [ 0.398351 0.616494 0.675443 ] [ 0.981688 0.352762 0.13881 ] [ 0.200765 0.968994 0.52863 ] [ 0.799235 0.468994 0.97137 ] [ 0.266273 0.990894 0.766444 ] [ 0.755826 0.532 0.458348 ] [ 0.570445 0.941299 0.648626 ] [ 0.601649 0.116494 0.824557 ] [ 0.579127 0.620449 0.893664 ] [ 0.310222 0.790996 0.53294 ] [ 0.937482 0.833241 0.594266 ] [ 0.981688 0.147238 0.63881 ] [ 0.351399 0.209628 0.033758 ] [ 0.988336 0.846882 0.869218 ] [ 0.200765 0.531006 0.02863 ] [ 0.429555 0.441299 0.851374 ] [ 0.733727 0.009106 0.233556 ] [ 0.299372 0.735665 0.285213 ] [ 0.689778 0.209004 0.46706 ] [ 0.429555 0.058701 0.351374 ] [ 0.648601 0.790372 0.966242 ] [ 0.570445 0.558701 0.148626 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "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" "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" 6.96238387132 "source-unit" "angstrom" } "b" { "source-value" 15.2793597 "source-unit" "angstrom" } "c" { "source-value" 11.7090206438 "source-unit" "angstrom" } "beta" { "source-value" 97.9278584104 "source-unit" "degree" } }