{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.520817 0.678719 0.841647 ] [ 0.479183 0.321281 0.158353 ] [ 0.5 0 0.5 ] [ 0.988033 0.154115 0.832543 ] [ 0 0.5 0.5 ] [ 0.011967 0.845885 0.167457 ] [ 0.81642 0.210365 0.603562 ] [ 0.81003 0.86734 0.944515 ] [ 0.691176 0.038584 0.268905 ] [ 0.694014 0.37178 0.934235 ] [ 0.696293 0.702915 0.603665 ] [ 0.308824 0.961416 0.731095 ] [ 0.303707 0.297085 0.396335 ] [ 0.305986 0.62822 0.065765 ] [ 0.18358 0.789635 0.396438 ] [ 0.18997 0.13266 0.055485 ] [ 0.796934 0.534637 0.264239 ] [ 0.203066 0.465363 0.735761 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.64545617 "source-unit" "angstrom" } "b" { "source-value" 5.55344901 "source-unit" "angstrom" } "c" { "source-value" 7.58329801 "source-unit" "angstrom" } "alpha" { "source-value" 85.52941408 "source-unit" "degree" } "beta" { "source-value" 88.84993918 "source-unit" "degree" } "gamma" { "source-value" 87.40314451 "source-unit" "degree" } }