{ "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" [ [ 1 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.883037 0.152912 0.68061 ] [ 0.181028 0.729004 0.835287 ] [ 0.818972 0.270996 0.164713 ] [ 0.116963 0.847088 0.31939 ] ] } "species" { "source-value" [ "Cu" "Au" "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" 3.78883932312 "source-unit" "angstrom" } "b" { "source-value" 5.14379781729 "source-unit" "angstrom" } "c" { "source-value" 5.54537340931 "source-unit" "angstrom" } "alpha" { "source-value" 90.5933270723 "source-unit" "degree" } "beta" { "source-value" 98.5040586338 "source-unit" "degree" } "gamma" { "source-value" 107.426319751 "source-unit" "degree" } }