{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.655378 0.25 0.273931 ] [ 0.344622 0.75 0.726069 ] [ 0.926503 0.25 0.8238 ] [ 0.073497 0.75 0.1762 ] [ 0.731301 0.75 0.129146 ] [ 0.823201 0.469282 0.681117 ] [ 0.823201 0.030718 0.681117 ] [ 0.176799 0.969282 0.318883 ] [ 0.176799 0.530718 0.318883 ] [ 0.268699 0.25 0.870854 ] ] } "species" { "source-value" [ "Ba" "Ba" "S" "S" "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" 4.71665764 "source-unit" "angstrom" } "b" { "source-value" 5.57264332 "source-unit" "angstrom" } "c" { "source-value" 6.79782869 "source-unit" "angstrom" } "beta" { "source-value" 106.78654535 "source-unit" "degree" } }