{ "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" [ [ 0.205633 0.933085 0.868533 ] [ 0.702119 0.930153 0.629159 ] [ 0.297881 0.069847 0.370841 ] [ 0.794367 0.066915 0.131467 ] [ 0.572136 0.347127 0.544734 ] [ 0.98507 0.748348 0.355704 ] [ 0.427864 0.652873 0.455266 ] [ 0.067169 0.356878 0.961166 ] [ 0.500855 0.597354 0.834907 ] [ 0.499145 0.402646 0.165093 ] [ 0.01493 0.251652 0.644296 ] [ 0.932831 0.643122 0.038834 ] [ 0.467851 0.684916 0.153111 ] [ 0.982042 0.451836 0.355243 ] [ 0.532149 0.315084 0.846889 ] [ 0.017958 0.548164 0.644757 ] [ 0.854316 0.194625 0.83475 ] [ 0.364868 0.19591 0.67105 ] [ 0.138928 0.58211 0.856457 ] [ 0.861072 0.41789 0.143543 ] [ 0.849519 0.229183 0.444121 ] [ 0.635132 0.80409 0.32895 ] [ 0.150481 0.770817 0.555879 ] [ 0.363469 0.224741 0.026172 ] [ 0.145684 0.805375 0.16525 ] [ 0.346275 0.419768 0.360588 ] [ 0.653725 0.580232 0.639412 ] [ 0.636531 0.775259 0.973828 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.33851904833 "source-unit" "angstrom" } "b" { "source-value" 8.97341973777 "source-unit" "angstrom" } "c" { "source-value" 10.3540578113 "source-unit" "angstrom" } "alpha" { "source-value" 90.707857823 "source-unit" "degree" } "beta" { "source-value" 91.3334281563 "source-unit" "degree" } "gamma" { "source-value" 90.6526670454 "source-unit" "degree" } }