{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1cn" } "basis-atom-coordinates" { "source-value" [ [ 0.277944 0.186782 0.168205 ] [ 0.213354 0.918816 0.956949 ] [ 0.777944 0.686782 0.331795 ] [ 0.278042 0.583188 0.789742 ] [ 0.261788 0.31419 0.334153 ] [ 0.735645 0.414603 0.87972 ] [ 0.277944 0.313218 0.668205 ] [ 0.777944 0.813218 0.831795 ] [ 0.235645 0.585397 0.12028 ] [ 0.706454 0.686923 0.998389 ] [ 0.706454 0.813077 0.498389 ] [ 0.206454 0.313077 0.001611 ] [ 0.206454 0.186923 0.501611 ] [ 0.261788 0.18581 0.834153 ] [ 0.735645 0.085397 0.37972 ] [ 0.713354 0.081184 0.043051 ] [ 0.761788 0.81419 0.165847 ] [ 0.761788 0.68581 0.665847 ] [ 0.213354 0.581184 0.456949 ] [ 0.778042 0.416812 0.210258 ] [ 0.713354 0.418816 0.543051 ] [ 0.235645 0.914603 0.62028 ] [ 0.278042 0.916812 0.289742 ] [ 0.778042 0.083188 0.710258 ] [ 0.763525 0.417967 0.74036 ] [ 0.250118 0.919267 0.427893 ] [ 0.250118 0.580733 0.927893 ] [ 0.220455 0.917684 0.09512 ] [ 0.720455 0.417684 0.40488 ] [ 0.763525 0.082033 0.24036 ] [ 0.263525 0.582033 0.25964 ] [ 0.750118 0.419267 0.072107 ] [ 0.750118 0.080733 0.572107 ] [ 0.220455 0.582316 0.59512 ] [ 0.720455 0.082316 0.90488 ] [ 0.263525 0.917967 0.75964 ] [ 0.686813 0.063373 0.822904 ] [ 0.326297 0.556408 0.007958 ] [ 0.498142 0.137587 0.278025 ] [ 0.184889 0.421311 0.555654 ] [ 0.508815 0.64302 0.888833 ] [ 0.990813 0.349059 0.430292 ] [ 0.183242 0.424802 0.887557 ] [ 0.498142 0.362413 0.778025 ] [ 0.008815 0.35698 0.111167 ] [ 0.683242 0.924802 0.612443 ] [ 0.998142 0.637587 0.221975 ] [ 0.834583 0.925418 0.279359 ] [ 0.00107 0.693836 0.564859 ] [ 0.481384 0.793734 0.744289 ] [ 0.522283 0.300475 0.084032 ] [ 0.195544 0.564119 0.340572 ] [ 0.683242 0.575198 0.112443 ] [ 0.826297 0.443592 0.992042 ] [ 0.184889 0.078689 0.055654 ] [ 0.522283 0.199525 0.584032 ] [ 0.008815 0.14302 0.611167 ] [ 0.695544 0.435881 0.659428 ] [ 0.490813 0.849059 0.069708 ] [ 0.186813 0.936627 0.177096 ] [ 0.00107 0.806164 0.064859 ] [ 0.334583 0.425418 0.220641 ] [ 0.686813 0.436627 0.322904 ] [ 0.684889 0.921311 0.944346 ] [ 0.50107 0.306164 0.435141 ] [ 0.481384 0.706266 0.244289 ] [ 0.684889 0.578689 0.444346 ] [ 0.981384 0.206266 0.255711 ] [ 0.195544 0.935881 0.840572 ] [ 0.834583 0.574582 0.779359 ] [ 0.981384 0.293734 0.755711 ] [ 0.990813 0.150941 0.930292 ] [ 0.022283 0.800475 0.415968 ] [ 0.998142 0.862413 0.721975 ] [ 0.508815 0.85698 0.388833 ] [ 0.826297 0.056408 0.492042 ] [ 0.334583 0.074582 0.720641 ] [ 0.183242 0.075198 0.387557 ] [ 0.695544 0.064119 0.159428 ] [ 0.186813 0.563373 0.677096 ] [ 0.022283 0.699525 0.915968 ] [ 0.326297 0.943592 0.507958 ] [ 0.490813 0.650941 0.569708 ] [ 0.50107 0.193836 0.935141 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.36471474 "source-unit" "angstrom" } "b" { "source-value" 12.55918611 "source-unit" "angstrom" } "c" { "source-value" 27.09253546 "source-unit" "angstrom" } }