{ "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" [ [ 0.218333 0.249781 0.96443 ] [ 0.781667 0.749781 0.53557 ] [ 0.781667 0.750219 0.03557 ] [ 0.218333 0.250219 0.46443 ] [ 0.294303 0.73517 0.842188 ] [ 0.705697 0.23517 0.657812 ] [ 0.705697 0.26483 0.157812 ] [ 0.294303 0.76483 0.342188 ] [ 0.741223 0.800237 0.779274 ] [ 0.258777 0.300237 0.720726 ] [ 0.258777 0.199763 0.220726 ] [ 0.741223 0.699763 0.279274 ] [ 0.516946 0.500974 0.866022 ] [ 0.483054 0.000974 0.633978 ] [ 0.483054 0.499026 0.133978 ] [ 0.516946 0.999026 0.366022 ] [ 0.088937 0.749147 0.915769 ] [ 0.911063 0.249147 0.584231 ] [ 0.911063 0.250853 0.084231 ] [ 0.088937 0.750853 0.415769 ] [ 0.486978 0.993495 0.857165 ] [ 0.513022 0.493495 0.642835 ] [ 0.513022 0.006505 0.142835 ] [ 0.486978 0.506505 0.357165 ] [ 0.097346 0.687212 0.720795 ] [ 0.902654 0.187212 0.779205 ] [ 0.902654 0.312788 0.279205 ] [ 0.097346 0.812788 0.220795 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.55843348 "source-unit" "angstrom" } "b" { "source-value" 6.80900244 "source-unit" "angstrom" } "c" { "source-value" 17.55955502 "source-unit" "angstrom" } "beta" { "source-value" 107.45101881 "source-unit" "degree" } }