{ "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" [ [ 0.197254 0.964569 0.520889 ] [ 0.451726 0.392456 0.939984 ] [ 0.772122 0.515924 0.302921 ] [ 0.999517 0.010273 0.987069 ] [ 0.889247 0.915106 0.562641 ] [ 0.391063 0.760524 0.430552 ] [ 0.263485 0.155836 0.377856 ] [ 0.668822 0.360358 0.468962 ] [ 0.481926 0.580269 0.792962 ] [ 0.136806 0.332308 0.998111 ] [ 0.034581 0.59347 0.336403 ] [ 0.020763 0.452511 0.649855 ] [ 0.887553 0.800815 0.946886 ] [ 0.258086 0.905756 0.056128 ] [ 0.785834 0.049166 0.187905 ] [ 0.659243 0.19011 0.866867 ] [ 0.506018 0.46868 0.12451 ] [ 0.272753 0.012069 0.707698 ] ] } "species" { "source-value" [ "Al" "Al" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.86345183072 "source-unit" "angstrom" } "b" { "source-value" 8.72935465549 "source-unit" "angstrom" } "c" { "source-value" 10.2047811995 "source-unit" "angstrom" } "alpha" { "source-value" 85.7815564899 "source-unit" "degree" } "beta" { "source-value" 73.7051031776 "source-unit" "degree" } "gamma" { "source-value" 82.8968310685 "source-unit" "degree" } }