{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.358963 0.25 ] [ 0 0.641037 0.75 ] [ 0.5 0.858963 0.25 ] [ 0.5 0.141037 0.75 ] [ 0 0.082211 0.75 ] [ 0 0.917789 0.25 ] [ 0.5 0.582211 0.75 ] [ 0.5 0.417789 0.25 ] [ 0.822736 0.944886 0.790517 ] [ 0.177264 0.944886 0.709483 ] [ 0.822736 0.055114 0.290517 ] [ 0.177264 0.055114 0.209483 ] [ 0.322736 0.444886 0.790517 ] [ 0.677264 0.444886 0.709483 ] [ 0.322736 0.555114 0.290517 ] [ 0.677264 0.555114 0.209483 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Bi" "Bi" "Bi" "Bi" "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" 8.47991058434 "source-unit" "angstrom" } "b" { "source-value" 9.64517225443 "source-unit" "angstrom" } "c" { "source-value" 6.09595931924 "source-unit" "angstrom" } "beta" { "source-value" 123.256671192 "source-unit" "degree" } }