{ "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" [ [ 0.610843 0.482098 0.43603 ] [ 0.913997 0.989358 0.011668 ] [ 0.286372 0.116604 0.447871 ] [ 0.415374 0.911742 0.309427 ] [ 0.944006 0.067752 0.762836 ] [ 0.535863 0.611841 0.67302 ] [ 0.730747 0.279292 0.312205 ] [ 0.173969 0.381818 0.187686 ] [ 0.993917 0.705755 0.493869 ] [ 0.235647 0.364876 0.841062 ] [ 0.089718 0.553721 0.352398 ] [ 0.626794 0.628523 0.94841 ] [ 0.47791 0.829514 0.058685 ] [ 0.039247 0.585788 0.723871 ] [ 0.686768 0.380958 0.12167 ] [ 0.467037 0.747097 0.546835 ] [ 0.952466 0.858966 0.242687 ] [ 0.793324 0.196963 0.889104 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.02241891 "source-unit" "angstrom" } "b" { "source-value" 4.61841845 "source-unit" "angstrom" } "c" { "source-value" 17.73405821 "source-unit" "angstrom" } "alpha" { "source-value" 85.31396934 "source-unit" "degree" } "beta" { "source-value" 87.87342858 "source-unit" "degree" } "gamma" { "source-value" 65.6702173 "source-unit" "degree" } }