{ "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" [ [ 0.97538 0.5 0.3693 ] [ 0.02462 0.5 0.6307 ] [ 0.229283 0.5 0.313253 ] [ 0.770717 0.5 0.686747 ] [ 0.921872 0 0.046799 ] [ 0.078128 0 0.953201 ] [ 0.47538 0 0.3693 ] [ 0.52462 0 0.6307 ] [ 0.729283 0 0.313253 ] [ 0.270717 0 0.686747 ] [ 0.421872 0.5 0.046799 ] [ 0.578128 0.5 0.953201 ] [ 0.718412 0.5 0.871143 ] [ 0.281588 0.5 0.128857 ] [ 0.874863 0 0.627627 ] [ 0.125137 0 0.372373 ] [ 0.218412 0 0.871143 ] [ 0.781588 0 0.128857 ] [ 0.374863 0.5 0.627627 ] [ 0.625137 0.5 0.372373 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "W" "W" "W" "W" "W" "W" "W" "W" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.4980143141 "source-unit" "angstrom" } "b" { "source-value" 3.3081983305 "source-unit" "angstrom" } "c" { "source-value" 11.26518518 "source-unit" "angstrom" } "beta" { "source-value" 134.986749726 "source-unit" "degree" } }