{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.242265 0.113506 0.75729 ] [ 0.757735 0.886494 0.24271 ] [ 0.401532 0.272884 0.267563 ] [ 0.598468 0.727116 0.732437 ] [ 0.868172 0.37064 0.741269 ] [ 0.131828 0.62936 0.258731 ] ] } "species" { "source-value" [ "Cu" "Mo" "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" 5.11856582737 "source-unit" "angstrom" } "b" { "source-value" 5.27667784213 "source-unit" "angstrom" } "c" { "source-value" 5.49952253428 "source-unit" "angstrom" } "alpha" { "source-value" 117.202517469 "source-unit" "degree" } "beta" { "source-value" 89.2617043808 "source-unit" "degree" } "gamma" { "source-value" 117.910105743 "source-unit" "degree" } }