{ "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" [ [ 0.277743 0.047371 0.541573 ] [ 0.639623 0.148675 0.704761 ] [ 0.360377 0.851325 0.295239 ] [ 0.487344 0.823416 0.638686 ] [ 0.722257 0.952629 0.458427 ] [ 0.379585 0.599639 0.87276 ] [ 0.512656 0.176584 0.361314 ] [ 0.620415 0.400361 0.12724 ] [ 0.991646 0.243633 0.267643 ] [ 0.008354 0.756367 0.732357 ] [ 0.240915 0.15672 0.008246 ] [ 0.759085 0.84328 0.991754 ] [ 0.612904 0.98835 0.862033 ] [ 0.68263 0.287634 0.552054 ] [ 0.862168 0.436186 0.272964 ] [ 0.387096 0.01165 0.137967 ] [ 0.31737 0.712366 0.447946 ] [ 0.238078 0.3126 0.235229 ] [ 0.824709 0.012486 0.208695 ] [ 0.392992 0.328339 0.946092 ] [ 0.980567 0.17681 0.998698 ] [ 0.137832 0.563814 0.727036 ] [ 0.910921 0.794815 0.514447 ] [ 0.761922 0.6874 0.764771 ] [ 0.175291 0.987514 0.791305 ] [ 0.607008 0.671661 0.053908 ] [ 0.019433 0.82319 0.001302 ] [ 0.089079 0.205185 0.485553 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.35723929 "source-unit" "angstrom" } "b" { "source-value" 7.5478898 "source-unit" "angstrom" } "c" { "source-value" 7.99945477 "source-unit" "angstrom" } "alpha" { "source-value" 97.89028054 "source-unit" "degree" } "beta" { "source-value" 102.87218447 "source-unit" "degree" } "gamma" { "source-value" 94.61653886 "source-unit" "degree" } }