{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.022437 0.803353 0.676622 ] [ 0.477563 0.803353 0.176622 ] [ 0.977563 0.303353 0.323378 ] [ 0.007732 0.487656 0.998067 ] [ 0.492268 0.487656 0.498067 ] [ 0.522437 0.303353 0.823378 ] [ 0.507732 0.987656 0.501933 ] [ 0.992268 0.987656 0.001933 ] [ 0.385404 0.597872 0.823228 ] [ 0.203231 0.754552 0.415128 ] [ 0.834884 0.64704 0.299752 ] [ 0.15045 0.356087 0.715922 ] [ 0.056854 0.161696 0.557464 ] [ 0.958387 0.871794 0.427279 ] [ 0.943146 0.661696 0.442536 ] [ 0.452725 0.734326 0.710197 ] [ 0.541613 0.871794 0.927279 ] [ 0.047275 0.734326 0.210197 ] [ 0.556854 0.661696 0.942536 ] [ 0.165116 0.14704 0.700248 ] [ 0.636948 0.390731 0.197323 ] [ 0.458387 0.371794 0.072721 ] [ 0.041613 0.371794 0.572721 ] [ 0.296769 0.754552 0.915128 ] [ 0.703231 0.254552 0.084872 ] [ 0.34955 0.356087 0.215922 ] [ 0.665116 0.64704 0.799752 ] [ 0.614596 0.097872 0.176772 ] [ 0.136948 0.890731 0.302677 ] [ 0.65045 0.856087 0.784078 ] [ 0.334884 0.14704 0.200248 ] [ 0.114596 0.597872 0.323228 ] [ 0.952725 0.234326 0.789803 ] [ 0.443146 0.161696 0.057464 ] [ 0.84955 0.856087 0.284078 ] [ 0.547275 0.234326 0.289803 ] [ 0.363052 0.890731 0.802677 ] [ 0.796769 0.254552 0.584872 ] [ 0.863052 0.390731 0.697323 ] [ 0.885404 0.097872 0.676772 ] [ 0.523214 0.818758 0.499095 ] [ 0.817504 0.537168 0.058084 ] [ 0.315306 0.887733 0.114667 ] [ 0.172354 0.312101 0.387376 ] [ 0.182496 0.037168 0.941916 ] [ 0.188536 0.556815 0.055924 ] [ 0.184694 0.887733 0.614667 ] [ 0.920667 0.140774 0.307227 ] [ 0.505294 0.046405 0.619713 ] [ 0.503683 0.875759 0.289564 ] [ 0.579333 0.140774 0.807227 ] [ 0.311464 0.556815 0.555924 ] [ 0.003683 0.375759 0.210436 ] [ 0.684694 0.387733 0.885333 ] [ 0.827646 0.812101 0.612624 ] [ 0.815306 0.387733 0.385333 ] [ 0.005294 0.546405 0.880287 ] [ 0.079333 0.640774 0.692773 ] [ 0.672354 0.812101 0.112624 ] [ 0.811464 0.056815 0.944076 ] [ 0.317504 0.037168 0.441916 ] [ 0.420667 0.640774 0.192773 ] [ 0.976786 0.818758 0.999095 ] [ 0.476786 0.318758 0.500905 ] [ 0.682496 0.537168 0.558084 ] [ 0.023214 0.318758 0.000905 ] [ 0.996317 0.875759 0.789564 ] [ 0.494706 0.546405 0.380287 ] [ 0.496317 0.375759 0.710436 ] [ 0.688536 0.056815 0.444076 ] [ 0.994706 0.046405 0.119713 ] [ 0.327646 0.312101 0.887376 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.39943546 "source-unit" "angstrom" } "b" { "source-value" 13.91837199 "source-unit" "angstrom" } "c" { "source-value" 18.88824689 "source-unit" "angstrom" } }