{ "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 ] [ 0.293791 0.225951 0.2066 ] [ 0.706209 0.774049 0.7934 ] [ 0.745525 0.817841 0.567024 ] [ 0.287626 0.128779 0.841316 ] [ 0.712374 0.871221 0.158684 ] [ 0.089941 0.48176 0.215566 ] [ 0.910059 0.51824 0.784434 ] [ 0.254475 0.182159 0.432976 ] ] } "species" { "source-value" [ "Pd" "S" "S" "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" 4.75511352024 "source-unit" "angstrom" } "b" { "source-value" 6.98201827991 "source-unit" "angstrom" } "c" { "source-value" 8.41418294275 "source-unit" "angstrom" } "alpha" { "source-value" 104.372709134 "source-unit" "degree" } "beta" { "source-value" 97.3122911853 "source-unit" "degree" } "gamma" { "source-value" 91.8532196067 "source-unit" "degree" } }