{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd2d" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.165223 ] [ 0.75 0.75 0.915223 ] [ 0 0 0.665223 ] [ 0.75 0.25 0.415223 ] [ 0.5 0 0.165223 ] [ 0.25 0.25 0.915223 ] [ 0.5 0.5 0.665223 ] [ 0.25 0.75 0.415223 ] [ 0.504477 0.728482 0.248135 ] [ 0.254477 0.521518 0.998135 ] [ 0.745523 0.478482 0.998135 ] [ 0.495523 0.271518 0.248135 ] [ 0.504477 0.228482 0.748135 ] [ 0.254477 0.021518 0.498135 ] [ 0.745523 0.978482 0.498135 ] [ 0.495523 0.771518 0.748135 ] [ 0.004477 0.228482 0.248135 ] [ 0.754477 0.021518 0.998135 ] [ 0.245523 0.978482 0.998135 ] [ 0.995523 0.771518 0.248135 ] [ 0.004477 0.728482 0.748135 ] [ 0.754477 0.521518 0.498135 ] [ 0.245523 0.478482 0.498135 ] [ 0.995523 0.271518 0.748135 ] [ 0.357543 0.576126 0.923188 ] [ 0.631965 0.145118 0.992134 ] [ 0.360076 0.325889 0.841579 ] [ 0.607543 0.673874 0.173188 ] [ 0.891669 0.575271 0.241228 ] [ 0.389924 0.075889 0.091579 ] [ 0.637879 0.418193 0.071611 ] [ 0.640353 0.89848 0.918123 ] [ 0.392457 0.326126 0.173188 ] [ 0.618035 0.395118 0.242134 ] [ 0.390353 0.85152 0.168123 ] [ 0.358331 0.325271 0.991228 ] [ 0.612121 0.168193 0.821611 ] [ 0.362121 0.581807 0.071611 ] [ 0.110076 0.424111 0.091579 ] [ 0.109647 0.64848 0.168123 ] [ 0.381965 0.604882 0.242134 ] [ 0.108331 0.424729 0.241228 ] [ 0.641669 0.674729 0.991228 ] [ 0.859647 0.60152 0.918123 ] [ 0.639924 0.674111 0.841579 ] [ 0.642457 0.423874 0.923188 ] [ 0.368035 0.854882 0.992134 ] [ 0.887879 0.331807 0.821611 ] [ 0.357543 0.076126 0.423188 ] [ 0.631965 0.645118 0.492134 ] [ 0.360076 0.825889 0.341579 ] [ 0.607543 0.173874 0.673188 ] [ 0.891669 0.075271 0.741228 ] [ 0.389924 0.575889 0.591579 ] [ 0.637879 0.918193 0.571611 ] [ 0.640353 0.39848 0.418123 ] [ 0.392457 0.826126 0.673188 ] [ 0.618035 0.895118 0.742134 ] [ 0.390353 0.35152 0.668123 ] [ 0.358331 0.825271 0.491228 ] [ 0.612121 0.668193 0.321611 ] [ 0.362121 0.081807 0.571611 ] [ 0.110076 0.924111 0.591579 ] [ 0.109647 0.14848 0.668123 ] [ 0.381965 0.104882 0.742134 ] [ 0.108331 0.924729 0.741228 ] [ 0.641669 0.174729 0.491228 ] [ 0.859647 0.10152 0.418123 ] [ 0.639924 0.174111 0.341579 ] [ 0.642457 0.923874 0.423188 ] [ 0.368035 0.354882 0.492134 ] [ 0.887879 0.831807 0.321611 ] [ 0.857543 0.076126 0.923188 ] [ 0.131965 0.645118 0.992134 ] [ 0.860076 0.825889 0.841579 ] [ 0.107543 0.173874 0.173188 ] [ 0.391669 0.075271 0.241228 ] [ 0.889924 0.575889 0.091579 ] [ 0.137879 0.918193 0.071611 ] [ 0.140353 0.39848 0.918123 ] [ 0.892457 0.826126 0.173188 ] [ 0.118035 0.895118 0.242134 ] [ 0.890353 0.35152 0.168123 ] [ 0.858331 0.825271 0.991228 ] [ 0.112121 0.668193 0.821611 ] [ 0.862121 0.081807 0.071611 ] [ 0.610076 0.924111 0.091579 ] [ 0.609647 0.14848 0.168123 ] [ 0.881965 0.104882 0.242134 ] [ 0.608331 0.924729 0.241228 ] [ 0.141669 0.174729 0.991228 ] [ 0.359647 0.10152 0.918123 ] [ 0.139924 0.174111 0.841579 ] [ 0.142457 0.923874 0.923188 ] [ 0.868035 0.354882 0.992134 ] [ 0.387879 0.831807 0.821611 ] [ 0.857543 0.576126 0.423188 ] [ 0.131965 0.145118 0.492134 ] [ 0.860076 0.325889 0.341579 ] [ 0.107543 0.673874 0.673188 ] [ 0.391669 0.575271 0.741228 ] [ 0.889924 0.075889 0.591579 ] [ 0.137879 0.418193 0.571611 ] [ 0.140353 0.89848 0.418123 ] [ 0.892457 0.326126 0.673188 ] [ 0.118035 0.395118 0.742134 ] [ 0.890353 0.85152 0.668123 ] [ 0.858331 0.325271 0.491228 ] [ 0.112121 0.168193 0.321611 ] [ 0.862121 0.581807 0.571611 ] [ 0.610076 0.424111 0.591579 ] [ 0.609647 0.64848 0.668123 ] [ 0.881965 0.604882 0.742134 ] [ 0.608331 0.424729 0.741228 ] [ 0.141669 0.674729 0.491228 ] [ 0.359647 0.60152 0.418123 ] [ 0.139924 0.674111 0.341579 ] [ 0.142457 0.423874 0.423188 ] [ 0.868035 0.854882 0.492134 ] [ 0.387879 0.331807 0.321611 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" "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" 12.2992207691 "source-unit" "angstrom" } "b" { "source-value" 13.0059154915 "source-unit" "angstrom" } "c" { "source-value" 22.02565633 "source-unit" "angstrom" } }