{ "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" [ [ 0.289398 0.519443 0.699757 ] [ 0.789398 0.980557 0.699757 ] [ 0.210602 0.019443 0.300243 ] [ 0.710602 0.480557 0.300243 ] [ 0.010407 0.247491 0.53064 ] [ 0.510407 0.252509 0.53064 ] [ 0.489593 0.747491 0.46936 ] [ 0.989593 0.752509 0.46936 ] [ 0.135206 0.816124 0.939237 ] [ 0.635206 0.683876 0.939237 ] [ 0.364794 0.316124 0.060763 ] [ 0.864794 0.183876 0.060763 ] ] } "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" 5.81773508 "source-unit" "angstrom" } "b" { "source-value" 5.77310194 "source-unit" "angstrom" } "c" { "source-value" 6.03810575 "source-unit" "angstrom" } "beta" { "source-value" 98.19814329 "source-unit" "degree" } }