{ "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 ] [ 0.392039 0.499811 0.302106 ] [ 0.607961 0.500189 0.697894 ] [ 0.690195 0.292437 0.437902 ] [ 0.309805 0.707563 0.562098 ] [ 0.998789 0.215398 0.7023 ] [ 0.001211 0.784602 0.2977 ] [ 0.112444 0.240097 0.099074 ] [ 0.887556 0.759903 0.900926 ] [ 0.662561 0.124717 0.119001 ] [ 0.337439 0.875283 0.880999 ] ] } "species" { "source-value" [ "Hf" "Te" "Te" "Te" "Te" "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" 7.28642244083 "source-unit" "angstrom" } "b" { "source-value" 7.33745637983 "source-unit" "angstrom" } "c" { "source-value" 7.86444264591 "source-unit" "angstrom" } "alpha" { "source-value" 75.9178861738 "source-unit" "degree" } "beta" { "source-value" 74.9541646852 "source-unit" "degree" } "gamma" { "source-value" 79.6867160443 "source-unit" "degree" } }