{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.991792 0.00088 0.169376 ] [ 0.108499 0.369457 0.000021 ] [ 0.132184 0.116264 0.49968 ] [ 0.137339 0.60286 0.243513 ] [ 0.139074 0.603506 0.756424 ] [ 0.359891 0.097759 0.758953 ] [ 0.362883 0.102159 0.241613 ] [ 0.368021 0.618494 0.501446 ] [ 0.378806 0.871019 0.995996 ] [ 0.500031 0.499759 0.826987 ] [ 0.501978 0.497494 0.173038 ] [ 0.63948 0.129279 0.00375 ] [ 0.625605 0.380077 0.498376 ] [ 0.642551 0.895788 0.765057 ] [ 0.644497 0.899766 0.234401 ] [ 0.857353 0.399535 0.229516 ] [ 0.858696 0.400352 0.770903 ] [ 0.875766 0.879148 0.500032 ] [ 0.875523 0.627975 0.999989 ] [ 0.991477 0.000994 0.830627 ] [ 0.116347 0.25502 0.753261 ] [ 0.116444 0.255061 0.246456 ] [ 0.150925 0.857234 0.636088 ] [ 0.150834 0.857272 0.363372 ] [ 0.214857 0.111116 0.999961 ] [ 0.28596 0.609588 0.000136 ] [ 0.348685 0.356327 0.364896 ] [ 0.348109 0.355018 0.635302 ] [ 0.385346 0.761489 0.755449 ] [ 0.384298 0.755934 0.245249 ] [ 0.615573 0.244132 0.754527 ] [ 0.614809 0.238379 0.244658 ] [ 0.651691 0.645383 0.364957 ] [ 0.651103 0.644159 0.634841 ] [ 0.718158 0.389636 0.999939 ] [ 0.786746 0.892665 0.000049 ] [ 0.848666 0.146064 0.634713 ] [ 0.848516 0.146047 0.365631 ] [ 0.884806 0.737928 0.755387 ] [ 0.884698 0.737962 0.24479 ] [ 0.045068 0.529648 0.49986 ] [ 0.458318 0.030143 0.500055 ] [ 0.022541 0.810472 0.716041 ] [ 0.023074 0.809796 0.283619 ] [ 0.102118 0.890099 0.499622 ] [ 0.169301 0.183558 0.878196 ] [ 0.169524 0.18452 0.121161 ] [ 0.229277 0.252256 0.352384 ] [ 0.227899 0.251848 0.646508 ] [ 0.271473 0.753279 0.351741 ] [ 0.270743 0.752818 0.648259 ] [ 0.329665 0.681096 0.877551 ] [ 0.330275 0.683766 0.121499 ] [ 0.397753 0.390671 0.50038 ] [ 0.419773 0.900945 0.802036 ] [ 0.475037 0.306186 0.716301 ] [ 0.476451 0.308798 0.28522 ] [ 0.523776 0.690747 0.716732 ] [ 0.525017 0.693464 0.282059 ] [ 0.582239 0.098788 0.197624 ] [ 0.598865 0.611148 0.499651 ] [ 0.664462 0.319141 0.877905 ] [ 0.665299 0.321588 0.123091 ] [ 0.729101 0.250146 0.352226 ] [ 0.728187 0.249416 0.647749 ] [ 0.770752 0.749944 0.353408 ] [ 0.769467 0.749639 0.647652 ] [ 0.827405 0.817455 0.876735 ] [ 0.827998 0.818389 0.123777 ] [ 0.845731 0.035013 0.999733 ] [ 0.880674 0.40578 0.998897 ] [ 0.901312 0.112236 0.500348 ] [ 0.920272 0.598297 0.79989 ] [ 0.919441 0.598201 0.200083 ] [ 0.97486 0.194005 0.717267 ] [ 0.975519 0.193539 0.283118 ] [ 0.087701 0.394209 0.797225 ] [ 0.087141 0.39428 0.202798 ] [ 0.128455 0.58633 0.001419 ] [ 0.155881 0.972309 0.00044 ] [ 0.182309 0.992921 0.310759 ] [ 0.179974 0.99442 0.68689 ] [ 0.319603 0.49041 0.6904 ] [ 0.319513 0.491947 0.310289 ] [ 0.348388 0.47226 0.001077 ] [ 0.37226 0.088752 0.999544 ] [ 0.415983 0.894602 0.201404 ] [ 0.585535 0.105396 0.799044 ] [ 0.62344 0.904911 0.000542 ] [ 0.650652 0.527204 0.999026 ] [ 0.680671 0.50808 0.312968 ] [ 0.680905 0.506646 0.686334 ] [ 0.816167 0.009882 0.686872 ] [ 0.818734 0.008386 0.315231 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Br" "Br" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 10.55859081 "source-unit" "angstrom" } "b" { "source-value" 11.24937917 "source-unit" "angstrom" } "c" { "source-value" 11.65061005 "source-unit" "angstrom" } "alpha" { "source-value" 89.9690654 "source-unit" "degree" } "beta" { "source-value" 89.9734364 "source-unit" "degree" } "gamma" { "source-value" 89.9313553 "source-unit" "degree" } }