{ "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" [ [ 0.193534 0.947161 0.258454 ] [ 0.193534 0.552839 0.758454 ] [ 0.341588 0.252124 0.307476 ] [ 0.341588 0.247876 0.807476 ] [ 0.658412 0.752124 0.192524 ] [ 0.658412 0.747876 0.692524 ] [ 0.806466 0.447161 0.241546 ] [ 0.806466 0.052839 0.741546 ] [ 0.149908 0.374858 0.036415 ] [ 0.149908 0.125142 0.536415 ] [ 0.360085 0.634858 0.4592 ] [ 0.360085 0.865142 0.9592 ] [ 0.639915 0.134858 0.0408 ] [ 0.639915 0.365142 0.5408 ] [ 0.850092 0.874858 0.463585 ] [ 0.850092 0.625142 0.963585 ] [ 0.028829 0.322709 0.420441 ] [ 0.028829 0.177291 0.920441 ] [ 0.244825 0.573709 0.08297 ] [ 0.244825 0.926291 0.58297 ] [ 0.253972 0.083781 0.137107 ] [ 0.253972 0.416219 0.637107 ] [ 0.45542 0.820952 0.400346 ] [ 0.45542 0.679048 0.900346 ] [ 0.54458 0.320952 0.099654 ] [ 0.54458 0.179048 0.599654 ] [ 0.746028 0.583781 0.362893 ] [ 0.746028 0.916219 0.862893 ] [ 0.755175 0.073709 0.41703 ] [ 0.755175 0.426291 0.91703 ] [ 0.971171 0.822709 0.079559 ] [ 0.971171 0.677291 0.579559 ] [ 0.029851 0.242888 0.502836 ] [ 0.029851 0.257112 0.002836 ] [ 0.093546 0.920275 0.474877 ] [ 0.093546 0.579725 0.974877 ] [ 0.094475 0.108997 0.037717 ] [ 0.094475 0.391003 0.537717 ] [ 0.142431 0.321307 0.283373 ] [ 0.142431 0.178693 0.783373 ] [ 0.140333 0.853826 0.121227 ] [ 0.140333 0.646174 0.621227 ] [ 0.186477 0.067498 0.300587 ] [ 0.186477 0.432502 0.800587 ] [ 0.256695 0.634454 0.217033 ] [ 0.256695 0.865546 0.717033 ] [ 0.278231 0.489289 0.136315 ] [ 0.278231 0.010711 0.636315 ] [ 0.311737 0.005507 0.073398 ] [ 0.311737 0.494493 0.573398 ] [ 0.332495 0.755324 0.434603 ] [ 0.332495 0.744676 0.934603 ] [ 0.374572 0.152855 0.137546 ] [ 0.374572 0.347145 0.637546 ] [ 0.3765 0.904135 0.450642 ] [ 0.393144 0.309025 0.995996 ] [ 0.3765 0.595865 0.950642 ] [ 0.393144 0.190975 0.495996 ] [ 0.490375 0.828325 0.227425 ] [ 0.490375 0.671675 0.727425 ] [ 0.509625 0.328325 0.272575 ] [ 0.509625 0.171675 0.772575 ] [ 0.606856 0.809025 0.504004 ] [ 0.6235 0.404135 0.049358 ] [ 0.606856 0.690975 0.004004 ] [ 0.6235 0.095865 0.549358 ] [ 0.625428 0.652855 0.362454 ] [ 0.625428 0.847145 0.862454 ] [ 0.667505 0.255324 0.065397 ] [ 0.667505 0.244676 0.565397 ] [ 0.688263 0.505507 0.426602 ] [ 0.688263 0.994493 0.926602 ] [ 0.721769 0.989289 0.363685 ] [ 0.721769 0.510711 0.863685 ] [ 0.743305 0.134454 0.282967 ] [ 0.743305 0.365546 0.782967 ] [ 0.813523 0.567498 0.199413 ] [ 0.813523 0.932502 0.699413 ] [ 0.859667 0.353826 0.378773 ] [ 0.859667 0.146174 0.878773 ] [ 0.857569 0.821307 0.216627 ] [ 0.857569 0.678693 0.716627 ] [ 0.905525 0.608997 0.462283 ] [ 0.905525 0.891003 0.962283 ] [ 0.906454 0.420275 0.025123 ] [ 0.906454 0.079725 0.525123 ] [ 0.970149 0.742888 0.997164 ] [ 0.970149 0.757112 0.497164 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 8.42732258 "source-unit" "angstrom" } "b" { "source-value" 16.88506996 "source-unit" "angstrom" } "c" { "source-value" 8.53227277 "source-unit" "angstrom" } "beta" { "source-value" 92.26231371 "source-unit" "degree" } }