{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.334905 0 0.833203 ] [ 0.664075 0 0.65356 ] [ 0.345841 0 0.331024 ] [ 0.655833 0 0.187395 ] [ 0.001722 0 0.496465 ] [ 0.995586 0 0.001452 ] [ 0.834905 0.5 0.833203 ] [ 0.164075 0.5 0.65356 ] [ 0.845841 0.5 0.331024 ] [ 0.155833 0.5 0.187395 ] [ 0.501722 0.5 0.496465 ] [ 0.495586 0.5 0.001452 ] [ 0.165849 0.806949 0.665087 ] [ 0.836903 0.806012 0.335069 ] [ 0.564261 0 0.376008 ] [ 0.836903 0.193988 0.335069 ] [ 0.165849 0.193051 0.665087 ] [ 0.997448 0.699399 0.00046 ] [ 0.997448 0.300601 0.00046 ] [ 0.665849 0.306949 0.665087 ] [ 0.336903 0.306012 0.335069 ] [ 0.064261 0.5 0.376008 ] [ 0.336903 0.693988 0.335069 ] [ 0.665849 0.693051 0.665087 ] [ 0.497448 0.199399 0.00046 ] [ 0.497448 0.800601 0.00046 ] [ 0.109788 0 0.296301 ] [ 0.764622 0 0.95076 ] [ 0.434769 0 0.631572 ] [ 0.229787 0 0.036944 ] [ 0.898411 0 0.704086 ] [ 0.609788 0.5 0.296301 ] [ 0.264622 0.5 0.95076 ] [ 0.934769 0.5 0.631572 ] [ 0.729787 0.5 0.036944 ] [ 0.398411 0.5 0.704086 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "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" 9.31033293 "source-unit" "angstrom" } "b" { "source-value" 6.40386537 "source-unit" "angstrom" } "c" { "source-value" 7.69359087 "source-unit" "angstrom" } "beta" { "source-value" 116.19088554 "source-unit" "degree" } }