{ "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" [ [ 0.738442 0.744063 0.760415 ] [ 0.261558 0.255937 0.239585 ] [ 0 0 0 ] [ 0.028183 0.684907 0.59157 ] [ 0.971817 0.315093 0.40843 ] [ 0.573016 0.567109 0.699791 ] [ 0.389905 0.801823 0.982262 ] [ 0.610095 0.198177 0.017738 ] [ 0.009138 0.037694 0.196936 ] [ 0.990862 0.962306 0.803064 ] [ 0.051958 0.319442 0.903785 ] [ 0.948042 0.680558 0.096215 ] [ 0.484929 0.909964 0.349972 ] [ 0.515071 0.090036 0.650028 ] [ 0.426984 0.432891 0.300209 ] ] } "species" { "source-value" [ "Te" "Te" "Os" "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" 6.77100925791 "source-unit" "angstrom" } "b" { "source-value" 7.15383545387 "source-unit" "angstrom" } "c" { "source-value" 11.2992696464 "source-unit" "angstrom" } "alpha" { "source-value" 71.679754424 "source-unit" "degree" } "beta" { "source-value" 75.6373854056 "source-unit" "degree" } "gamma" { "source-value" 62.7605707886 "source-unit" "degree" } }