{ "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" [ [ 0.437835 0.881048 0.354569 ] [ 0.937835 0.618952 0.854569 ] [ 0.35473 0.457792 0.710398 ] [ 0.85473 0.042208 0.210398 ] [ 0.14527 0.957792 0.789602 ] [ 0.062165 0.381048 0.145431 ] [ 0.562165 0.118952 0.645431 ] [ 0.64527 0.542208 0.289602 ] [ 0.048295 0.220891 0.43113 ] [ 0.951705 0.779109 0.56887 ] [ 0.451705 0.720891 0.06887 ] [ 0.548295 0.279109 0.93113 ] [ 0.232153 0.17657 0.995486 ] [ 0.267847 0.67657 0.504514 ] [ 0.767847 0.82343 0.004514 ] [ 0.732153 0.32343 0.495486 ] [ 0.154722 0.562669 0.314383 ] [ 0.555126 0.373856 0.145735 ] [ 0.654722 0.937331 0.814383 ] [ 0.845278 0.437331 0.685617 ] [ 0.884035 0.20981 0.083546 ] [ 0.944874 0.873856 0.354265 ] [ 0.055126 0.126144 0.645735 ] [ 0.384035 0.29019 0.583546 ] [ 0.345278 0.062669 0.185617 ] [ 0.115965 0.79019 0.916454 ] [ 0.444874 0.626144 0.854265 ] [ 0.615965 0.70981 0.416454 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.35531176101 "source-unit" "angstrom" } "b" { "source-value" 18.15629916 "source-unit" "angstrom" } "c" { "source-value" 6.99986544605 "source-unit" "angstrom" } "beta" { "source-value" 111.222608835 "source-unit" "degree" } }