{ "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" [ [ 0.178229 0.25 0.323038 ] [ 0.821771 0.75 0.676962 ] [ 0.646997 0.75 0.177338 ] [ 0.353003 0.25 0.822662 ] [ 0.31662 0.471562 0.648973 ] [ 0.68338 0.528438 0.351027 ] [ 0.31662 0.028438 0.648973 ] [ 0.919176 0.25 0.836983 ] [ 0.68338 0.971562 0.351027 ] [ 0.5 0.5 0 ] [ 0.080824 0.75 0.163017 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "W" "W" "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" 4.19704292174 "source-unit" "angstrom" } "b" { "source-value" 5.90283448 "source-unit" "angstrom" } "c" { "source-value" 7.84108208457 "source-unit" "angstrom" } "beta" { "source-value" 104.752527995 "source-unit" "degree" } }