{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.051459 0.280661 0.328235 ] [ 0.948541 0.719339 0.671765 ] [ 0.050712 0.764962 0.848054 ] [ 0.949288 0.235038 0.151946 ] [ 0.09662 0.058096 0.876922 ] [ 0.90338 0.941904 0.123078 ] [ 0.22439 0.485754 0.114882 ] [ 0.658603 0.27053 0.119586 ] [ 0.77561 0.514246 0.885118 ] [ 0.341397 0.72947 0.880414 ] [ 0.669947 0.723101 0.628501 ] [ 0.330053 0.276899 0.371499 ] [ 0.821 0.052947 0.372645 ] [ 0.075475 0.53844 0.367727 ] [ 0.179 0.947053 0.627355 ] [ 0.924525 0.46156 0.632273 ] ] } "species" { "source-value" [ "Cu" "C" "C" "S" "S" "O" "O" "O" "O" "O" "O" "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" 4.87244209071 "source-unit" "angstrom" } "b" { "source-value" 5.10379053276 "source-unit" "angstrom" } "c" { "source-value" 10.9136887939 "source-unit" "angstrom" } "alpha" { "source-value" 87.558312531 "source-unit" "degree" } "beta" { "source-value" 102.289432831 "source-unit" "degree" } "gamma" { "source-value" 117.658097939 "source-unit" "degree" } }