{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.453012 0.663095 0.298718 ] [ 0.545302 0.693912 0.211545 ] [ 0.43426 0.36495 0.83036 ] [ 0.927938 0.549789 0.113517 ] [ 0.377696 0.799245 0.344077 ] [ 0.095024 0.429486 0.382574 ] [ 0.993479 0.317989 0.290911 ] [ 0.600222 0.469501 0.699235 ] [ 0.454698 0.193912 0.788455 ] [ 0.089209 0.877737 0.844546 ] [ 0.910791 0.377737 0.155454 ] [ 0.006521 0.817989 0.709089 ] [ 0.622304 0.299245 0.655923 ] [ 0.885216 0.101852 0.657416 ] [ 0.972574 0.160209 0.791964 ] [ 0.114784 0.601852 0.342584 ] [ 0.492679 0.003329 0.214315 ] [ 0.399778 0.969501 0.300765 ] [ 0.027426 0.660209 0.208036 ] [ 0.546988 0.163095 0.701282 ] [ 0.56574 0.86495 0.16964 ] [ 0.507321 0.503329 0.785685 ] [ 0.904976 0.929486 0.617426 ] [ 0.072062 0.049789 0.886483 ] [ 0.255427 0.755058 0.470189 ] [ 0.744573 0.255058 0.529811 ] [ 0.962051 0.327237 0.834082 ] [ 0.97434 0.152628 0.332131 ] [ 0.561415 0.996115 0.660193 ] [ 0.34285 0.396541 0.911874 ] [ 0.512589 0.168181 0.173308 ] [ 0.153163 0.109214 0.016281 ] [ 0.382725 0.059947 0.830095 ] [ 0.65715 0.896541 0.088126 ] [ 0.02566 0.652628 0.667869 ] [ 0.331903 0.106953 0.342776 ] [ 0.846837 0.609214 0.983719 ] [ 0.037949 0.827237 0.165918 ] [ 0.186886 0.770396 0.933285 ] [ 0.617275 0.559947 0.169905 ] [ 0.438585 0.496115 0.339807 ] [ 0.668097 0.606953 0.657224 ] [ 0.174108 0.365586 0.512022 ] [ 0.825892 0.865586 0.487978 ] [ 0.813114 0.270396 0.066715 ] [ 0.487411 0.668181 0.826692 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "Se" "Se" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.46097296471 "source-unit" "angstrom" } "b" { "source-value" 7.63052895 "source-unit" "angstrom" } "c" { "source-value" 9.6373860718 "source-unit" "angstrom" } "beta" { "source-value" 106.416937767 "source-unit" "degree" } }