{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.84597 0.710696 0.214865 ] [ 0.65403 0.210696 0.285135 ] [ 0.15403 0.289304 0.785135 ] [ 0.34597 0.789304 0.714865 ] [ 0.975233 0.538027 0.239985 ] [ 0.524767 0.038027 0.260015 ] [ 0.024767 0.461973 0.760015 ] [ 0.475233 0.961973 0.739985 ] [ 0.541373 0.767109 0.211651 ] [ 0.958627 0.267109 0.288349 ] [ 0.458627 0.232891 0.788349 ] [ 0.041373 0.732891 0.711651 ] [ 0.02302 0.811406 0.20704 ] [ 0.47698 0.311406 0.29296 ] [ 0.97698 0.188594 0.79296 ] [ 0.52302 0.688594 0.70704 ] [ 0.176617 0.894225 0.732666 ] [ 0.323383 0.394225 0.767334 ] [ 0.823383 0.105775 0.267334 ] [ 0.676617 0.605775 0.232666 ] [ 0.30069 0.060255 0.770094 ] [ 0.19931 0.560255 0.729906 ] [ 0.69931 0.939745 0.229906 ] [ 0.80069 0.439745 0.270094 ] [ 0.776922 0.021374 0.745978 ] [ 0.723078 0.521374 0.754022 ] [ 0.223078 0.978626 0.254022 ] [ 0.276922 0.478626 0.245978 ] [ 0.640003 0.856657 0.708181 ] [ 0.859997 0.356657 0.791819 ] [ 0.359997 0.143343 0.291819 ] [ 0.140003 0.643343 0.208181 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.04957126445 "source-unit" "angstrom" } "b" { "source-value" 20.81271292 "source-unit" "angstrom" } "c" { "source-value" 8.67028671879 "source-unit" "angstrom" } "beta" { "source-value" 109.781783653 "source-unit" "degree" } }