{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.470258 0.893512 0.694259 ] [ 0.853388 0.710919 0.108938 ] [ 0.263901 0.503285 0.48191 ] [ 0.066896 0.795132 0.729548 ] [ 0.385331 0.792607 0.075179 ] [ 0.637581 0.300977 0.901087 ] [ 0.048889 0.097278 0.311968 ] [ 0.86478 0.40172 0.531936 ] [ 0.592468 0.190499 0.271696 ] [ 0.994999 0.006014 0.990824 ] [ 0.40973 0.803178 0.400348 ] [ 0.789761 0.596336 0.807301 ] [ 0.190459 0.402248 0.188507 ] [ 0.581641 0.200921 0.609787 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.80575855 "source-unit" "angstrom" } "b" { "source-value" 7.11606421 "source-unit" "angstrom" } "c" { "source-value" 7.13057318 "source-unit" "angstrom" } "alpha" { "source-value" 79.32925176 "source-unit" "degree" } "beta" { "source-value" 66.00942215 "source-unit" "degree" } "gamma" { "source-value" 66.07317811 "source-unit" "degree" } }