{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.253895 0.253491 0.944221 ] [ 0.246105 0.753491 0.055779 ] [ 0.753895 0.753491 0.944221 ] [ 0.746105 0.253491 0.055779 ] [ 0.249918 0.251102 0.147956 ] [ 0.751438 0.249859 0.249137 ] [ 0.250823 0.248582 0.349572 ] [ 0.750776 0.247946 0.449793 ] [ 0.249224 0.247946 0.550207 ] [ 0.249177 0.748582 0.650428 ] [ 0.248562 0.249859 0.750863 ] [ 0.750082 0.251102 0.852044 ] [ 0.749918 0.751102 0.147956 ] [ 0.251438 0.749859 0.249137 ] [ 0.750823 0.748582 0.349572 ] [ 0.250776 0.747946 0.449793 ] [ 0.749224 0.747946 0.550207 ] [ 0.749177 0.248582 0.650428 ] [ 0.748562 0.749859 0.750863 ] [ 0.250082 0.751102 0.852044 ] [ 0.000909 0.500737 0.196497 ] [ 0.001004 0.999136 0.299865 ] [ 0.000248 0.498185 0.399708 ] [ 0 0.997753 0.5 ] [ 0.999752 0.498185 0.600292 ] [ 0.498996 0.499136 0.700135 ] [ 0.499091 0.000737 0.803503 ] [ 0.001644 0.001686 0.897159 ] [ 0.498622 0.499405 0.799048 ] [ 0.001944 0.501757 0.90894 ] [ 0.5 0.495854 0 ] [ 0.998356 0.001686 0.102841 ] [ 0.498056 0.001757 0.09106 ] [ 0.001378 0.999405 0.200952 ] [ 0.001297 0.499479 0.298714 ] [ 0.0006 0.998252 0.399734 ] [ 0 0.497788 0.5 ] [ 0.4994 0.498252 0.600266 ] [ 0.998703 0.499479 0.701286 ] [ 0.500909 0.000737 0.196497 ] [ 0.501004 0.499136 0.299865 ] [ 0.500248 0.998185 0.399708 ] [ 0.5 0.497753 0.5 ] [ 0.499752 0.998185 0.600292 ] [ 0.998996 0.999136 0.700135 ] [ 0.999091 0.500737 0.803503 ] [ 0.501644 0.501686 0.897159 ] [ 0.998622 0.999405 0.799048 ] [ 0.501944 0.001757 0.90894 ] [ 0 0.995854 0 ] [ 0.498356 0.501686 0.102841 ] [ 0.998056 0.501757 0.09106 ] [ 0.501378 0.499405 0.200952 ] [ 0.501297 0.999479 0.298714 ] [ 0.5006 0.498252 0.399734 ] [ 0.5 0.997788 0.5 ] [ 0.9994 0.998252 0.600266 ] [ 0.498703 0.999479 0.701286 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "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" 5.59578118 "source-unit" "angstrom" } "b" { "source-value" 5.59579207 "source-unit" "angstrom" } "c" { "source-value" 27.94028507 "source-unit" "angstrom" } "beta" { "source-value" 90.05831114 "source-unit" "degree" } }