{ "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" [ [ 0.046363 0.454408 0.650089 ] [ 0.95383 0.052046 0.349889 ] [ 0.04617 0.947954 0.650111 ] [ 0.151489 0.349356 0.953498 ] [ 0.953637 0.545592 0.349911 ] [ 0.445747 0.554841 0.847579 ] [ 0.347699 0.651949 0.543607 ] [ 0.256292 0.749383 0.244658 ] [ 0.150859 0.84894 0.948794 ] [ 0.650478 0.848889 0.454194 ] [ 0.546001 0.953459 0.150802 ] [ 0.453999 0.046541 0.849198 ] [ 0.849141 0.15106 0.051206 ] [ 0.349522 0.15111 0.545806 ] [ 0.652301 0.348051 0.456393 ] [ 0.554253 0.445159 0.152421 ] [ 0.848511 0.650644 0.046502 ] [ 0.743708 0.250617 0.755342 ] [ 0.898743 0.849991 0.200631 ] [ 0.902567 0.34968 0.199545 ] [ 0.097433 0.65032 0.800455 ] [ 0.299456 0.953022 0.39959 ] [ 0.101257 0.150009 0.799369 ] [ 0.497646 0.250129 0.001688 ] [ 0.298651 0.448101 0.39902 ] [ 0.701349 0.551899 0.60098 ] [ 0.502354 0.749871 0.998312 ] [ 0.700544 0.046978 0.60041 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "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" 6.72508387 "source-unit" "angstrom" } "b" { "source-value" 7.76895135 "source-unit" "angstrom" } "c" { "source-value" 8.7033863 "source-unit" "angstrom" } "alpha" { "source-value" 77.14160344 "source-unit" "degree" } "beta" { "source-value" 75.02882945 "source-unit" "degree" } "gamma" { "source-value" 73.2991873 "source-unit" "degree" } }