{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.757611 0.545444 0.308176 ] [ 0.757611 0.954556 0.808176 ] [ 0.242389 0.045444 0.191824 ] [ 0.242389 0.454556 0.691824 ] [ 0.924431 0.83005 0.131245 ] [ 0.924431 0.66995 0.631245 ] [ 0.075569 0.33005 0.368755 ] [ 0.075569 0.16995 0.868755 ] [ 0.558198 0.246409 0.019213 ] [ 0.558198 0.253591 0.519213 ] [ 0.441802 0.746409 0.480787 ] [ 0.441802 0.753591 0.980787 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.83032839 "source-unit" "angstrom" } "b" { "source-value" 5.8723059 "source-unit" "angstrom" } "c" { "source-value" 6.0797617 "source-unit" "angstrom" } "beta" { "source-value" 96.32803164 "source-unit" "degree" } }