{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.257296 0.347495 0.75147 ] [ 0.50688 0.186405 0.504272 ] [ 0.257296 0.652505 0.25147 ] [ 0.50688 0.813595 0.004272 ] [ 0.998752 0.177555 0.998273 ] [ 0.998752 0.822445 0.498273 ] [ 0.7471 0.679284 0.751704 ] [ 0.7471 0.320716 0.251704 ] [ 0.045922 0.819635 0.950987 ] [ 0.847942 0.399531 0.75983 ] [ 0.430722 0.693449 0.744773 ] [ 0.658622 0.807078 0.550402 ] [ 0.045922 0.180365 0.450987 ] [ 0.847942 0.600469 0.25983 ] [ 0.430722 0.306551 0.244773 ] [ 0.658622 0.192922 0.050402 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "B" "B" "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" 4.81881306 "source-unit" "angstrom" } "b" { "source-value" 5.11862727 "source-unit" "angstrom" } "c" { "source-value" 7.83387482 "source-unit" "angstrom" } "beta" { "source-value" 127.71676277 "source-unit" "degree" } }