{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.987114 0.5 0.760003 ] [ 0.843761 0 0.257504 ] [ 0.156239 0 0.742496 ] [ 0.012886 0.5 0.239997 ] [ 0.487114 0 0.760003 ] [ 0.343761 0.5 0.257504 ] [ 0.656239 0.5 0.742496 ] [ 0.512886 0 0.239997 ] [ 0.825215 0 0.77843 ] [ 0.174785 0 0.22157 ] [ 0.325215 0.5 0.77843 ] [ 0.674785 0.5 0.22157 ] [ 0.904916 0 0.653462 ] [ 0.820281 0.5 0.367133 ] [ 0.143812 0.77708 0.08457 ] [ 0.143812 0.22292 0.08457 ] [ 0.856188 0.22292 0.91543 ] [ 0.856188 0.77708 0.91543 ] [ 0.179719 0.5 0.632867 ] [ 0.095084 0 0.346538 ] [ 0.404916 0.5 0.653462 ] [ 0.320281 0 0.367133 ] [ 0.643812 0.27708 0.08457 ] [ 0.643812 0.72292 0.08457 ] [ 0.356188 0.72292 0.91543 ] [ 0.356188 0.27708 0.91543 ] [ 0.679719 0 0.632867 ] [ 0.595084 0.5 0.346538 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.70576109 "source-unit" "angstrom" } "b" { "source-value" 6.70126959 "source-unit" "angstrom" } "c" { "source-value" 8.44223952 "source-unit" "angstrom" } "beta" { "source-value" 116.06888468 "source-unit" "degree" } }