{ "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" [ [ 0.301284 0.227539 0.767087 ] [ 0.698715 0.772461 0.232913 ] [ 0.073633 0.800713 0.560111 ] [ 0.926367 0.199287 0.439889 ] [ 0.558296 0.140464 0.865177 ] [ 0.441704 0.859536 0.134823 ] [ 0.643852 0.145398 0.453352 ] [ 0.356148 0.854602 0.546648 ] [ 0.960097 0.326619 0.680608 ] [ 0.039903 0.673381 0.319392 ] [ 0.211063 0.244268 0.425809 ] [ 0.788937 0.755732 0.574191 ] [ 0.892418 0.069268 0.200363 ] [ 0.107582 0.930732 0.799637 ] [ 0.203026 0.318793 0.993367 ] [ 0.796974 0.681207 0.006633 ] [ 0.588355 0.514851 0.244034 ] [ 0.411645 0.485149 0.755966 ] ] } "species" { "source-value" [ "Te" "Te" "Au" "Au" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.97620053799 "source-unit" "angstrom" } "b" { "source-value" 8.37405232209 "source-unit" "angstrom" } "c" { "source-value" 9.53004042228 "source-unit" "angstrom" } "alpha" { "source-value" 101.290995423 "source-unit" "degree" } "beta" { "source-value" 95.1738788719 "source-unit" "degree" } "gamma" { "source-value" 90.3066786571 "source-unit" "degree" } }