{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.012046 0.5 ] [ 0 0.498622 0 ] [ 0 0.319246 0.5 ] [ 0 0.681276 0.5 ] [ 0.5 0.983807 0 ] [ 0.5 0.346072 0 ] [ 0.253322 0.332265 0.252385 ] [ 0.997584 0.001553 0.249361 ] [ 0.253389 0.6653 0.494243 ] [ 0.753601 0.332489 0.246071 ] [ 0.746678 0.332265 0.747615 ] [ 0.505347 0.001068 0.75271 ] [ 0.494653 0.001068 0.24729 ] [ 0.748177 0.66772 0.000269 ] [ 0.246399 0.332489 0.753929 ] [ 0.746611 0.6653 0.505757 ] [ 0.002416 0.001553 0.750639 ] [ 0.251823 0.66772 0.999731 ] [ 0.252891 0.837411 0.252625 ] [ 0.00172 0.501327 0.254223 ] [ 0.747109 0.837411 0.747375 ] [ 0.250247 0.165927 0.50322 ] [ 0.748336 0.832315 0.25348 ] [ 0.495496 0.497295 0.753145 ] [ 0.504504 0.497295 0.246855 ] [ 0.251664 0.832315 0.74652 ] [ 0.749753 0.165927 0.49678 ] [ 0.741358 0.1667 0.999393 ] [ 0.99828 0.501327 0.745777 ] [ 0.258642 0.1667 0.000607 ] [ 0.89398 0.560333 0.101603 ] [ 0.107737 0.440638 0.206549 ] [ 0.103365 0.900722 0.208657 ] [ 0.888889 0.107268 0.111935 ] [ 0.685622 0.261621 0.071686 ] [ 0.298778 0.745654 0.379298 ] [ 0.283398 0.252578 0.408041 ] [ 0.715489 0.745846 0.125638 ] [ 0.92835 0.406438 0.31006 ] [ 0.074297 0.595305 0.382075 ] [ 0.120601 0.080062 0.408466 ] [ 0.880407 0.916858 0.290187 ] [ 0.38653 0.071194 0.072428 ] [ 0.616855 0.93098 0.688365 ] [ 0.395439 0.091104 0.593924 ] [ 0.603783 0.908744 0.197979 ] [ 0.388639 0.56254 0.609292 ] [ 0.589543 0.419064 0.188113 ] [ 0.589813 0.415346 0.712089 ] [ 0.408008 0.584693 0.12063 ] [ 0.197134 0.241124 0.595421 ] [ 0.799349 0.758129 0.397844 ] [ 0.778911 0.228735 0.889236 ] [ 0.219759 0.774258 0.107315 ] [ 0.780241 0.774258 0.892685 ] [ 0.221089 0.228735 0.110764 ] [ 0.200651 0.758129 0.602156 ] [ 0.802866 0.241124 0.404579 ] [ 0.591992 0.584693 0.87937 ] [ 0.410187 0.415346 0.287911 ] [ 0.410457 0.419064 0.811887 ] [ 0.611361 0.56254 0.390708 ] [ 0.396217 0.908744 0.802021 ] [ 0.604561 0.091104 0.406076 ] [ 0.383145 0.93098 0.311635 ] [ 0.61347 0.071194 0.927572 ] [ 0.119593 0.916858 0.709813 ] [ 0.879399 0.080062 0.591534 ] [ 0.925703 0.595305 0.617925 ] [ 0.07165 0.406438 0.68994 ] [ 0.284511 0.745846 0.874362 ] [ 0.716602 0.252578 0.591959 ] [ 0.701222 0.745654 0.620702 ] [ 0.314378 0.261621 0.928314 ] [ 0.111111 0.107268 0.888065 ] [ 0.896635 0.900722 0.791343 ] [ 0.10602 0.560333 0.898397 ] [ 0.892263 0.440638 0.793451 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 10.97286337 "source-unit" "angstrom" } "b" { "source-value" 11.58614164 "source-unit" "angstrom" } "c" { "source-value" 11.038058 "source-unit" "angstrom" } "beta" { "source-value" 119.65882108 "source-unit" "degree" } }