{ "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" [ [ 0.998221 0 0.247957 ] [ 0.001779 0 0.752043 ] [ 0.498221 0.5 0.247957 ] [ 0.501779 0.5 0.752043 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.228206 0.730087 0.206187 ] [ 0.771794 0.730087 0.793813 ] [ 0.771794 0.269913 0.793813 ] [ 0.228206 0.269913 0.206187 ] [ 0.042757 0.5 0.271474 ] [ 0.957243 0.5 0.728526 ] [ 0.728206 0.230087 0.206187 ] [ 0.271794 0.230087 0.793813 ] [ 0.271794 0.769913 0.793813 ] [ 0.728206 0.769913 0.206187 ] [ 0.542757 0 0.271474 ] [ 0.457243 0 0.728526 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ca" "Ca" "W" "W" "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" 10.4290123748 "source-unit" "angstrom" } "b" { "source-value" 6.01913985185 "source-unit" "angstrom" } "c" { "source-value" 8.50673845148 "source-unit" "angstrom" } "beta" { "source-value" 144.564279669 "source-unit" "degree" } }