{ "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" [ [ 0.182305 0.75 0.768872 ] [ 0.817695 0.25 0.231128 ] [ 0.760692 0.25 0.761253 ] [ 0.239308 0.75 0.238747 ] [ 0.303725 0.953417 0.171726 ] [ 0.696275 0.453417 0.828274 ] [ 0.696275 0.046583 0.828274 ] [ 0.303725 0.546583 0.171726 ] [ 0.091313 0.75 0.362088 ] [ 0.908687 0.25 0.637912 ] ] } "species" { "source-value" [ "Cs" "Cs" "Be" "Be" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.10801262174 "source-unit" "angstrom" } "b" { "source-value" 5.96074827 "source-unit" "angstrom" } "c" { "source-value" 7.8697252207 "source-unit" "angstrom" } "beta" { "source-value" 108.217886314 "source-unit" "degree" } }