{ "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" [ [ 0.535488 0.747105 0.504571 ] [ 0.25297 0.887017 0.146495 ] [ 0.964331 0.611681 0.855485 ] [ 0.74703 0.387017 0.353505 ] [ 0.035669 0.111681 0.644515 ] [ 0.464512 0.247105 0.995429 ] [ 0.535488 0.752895 0.004571 ] [ 0.964331 0.888319 0.355485 ] [ 0.25297 0.612983 0.646495 ] [ 0.035669 0.388319 0.144515 ] [ 0.74703 0.112983 0.853505 ] [ 0.464512 0.252895 0.495429 ] [ 0.36736 0.532602 0.116432 ] [ 0.63264 0.032602 0.383568 ] [ 0.866718 0.46605 0.616108 ] [ 0.133282 0.96605 0.883892 ] [ 0.866718 0.03395 0.116108 ] [ 0.133282 0.53395 0.383892 ] [ 0.36736 0.967398 0.616432 ] [ 0.63264 0.467398 0.883568 ] [ 0.63237 0.360888 0.567532 ] [ 0.195304 0.391036 0.130545 ] [ 0.478643 0.179202 0.408115 ] [ 0.906288 0.076417 0.839742 ] [ 0.53894 0.854427 0.428425 ] [ 0.287974 0.719401 0.164992 ] [ 0.185485 0.936369 0.030812 ] [ 0.920848 0.503785 0.762892 ] [ 0.715635 0.650861 0.565556 ] [ 0.984241 0.776586 0.827509 ] [ 0.423185 0.984728 0.226706 ] [ 0.150947 0.563013 0.957846 ] [ 0.576815 0.484728 0.273294 ] [ 0.849053 0.063013 0.542154 ] [ 0.015759 0.276586 0.672491 ] [ 0.284365 0.150861 0.934444 ] [ 0.814515 0.436369 0.469188 ] [ 0.079152 0.003785 0.737108 ] [ 0.712026 0.219401 0.335008 ] [ 0.46106 0.354427 0.071575 ] [ 0.521357 0.679202 0.091885 ] [ 0.804696 0.891036 0.369455 ] [ 0.093712 0.576417 0.660258 ] [ 0.36763 0.860888 0.932468 ] [ 0.63237 0.139112 0.067532 ] [ 0.906288 0.423583 0.339742 ] [ 0.195304 0.108964 0.630545 ] [ 0.478643 0.320798 0.908115 ] [ 0.53894 0.645573 0.928425 ] [ 0.287974 0.780599 0.664992 ] [ 0.920848 0.996215 0.262892 ] [ 0.185485 0.563631 0.530812 ] [ 0.715635 0.849139 0.065556 ] [ 0.984241 0.723414 0.327509 ] [ 0.150947 0.936987 0.457846 ] [ 0.423185 0.515272 0.726706 ] [ 0.849053 0.436987 0.042154 ] [ 0.576815 0.015272 0.773294 ] [ 0.015759 0.223414 0.172491 ] [ 0.284365 0.349139 0.434444 ] [ 0.079152 0.496215 0.237108 ] [ 0.814515 0.063631 0.969188 ] [ 0.712026 0.280599 0.835008 ] [ 0.46106 0.145573 0.571575 ] [ 0.093712 0.923583 0.160258 ] [ 0.521357 0.820798 0.591885 ] [ 0.804696 0.608964 0.869455 ] [ 0.36763 0.639112 0.432468 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "W" "W" "W" "W" "W" "W" "W" "W" "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" 8.7860905 "source-unit" "angstrom" } "b" { "source-value" 8.88722703 "source-unit" "angstrom" } "c" { "source-value" 15.06869283 "source-unit" "angstrom" } "beta" { "source-value" 125.27134642 "source-unit" "degree" } }