{ "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" [ [ 0.5 0.5 0 ] [ 0.859339 0.808138 0.166284 ] [ 0.5 0.5 0.5 ] [ 0.829438 0.810106 0.679355 ] [ 0.170562 0.189894 0.320645 ] [ 0.140661 0.191862 0.833716 ] [ 0.14361 0.509158 0.178097 ] [ 0.85639 0.490842 0.821903 ] [ 0.540019 0.108705 0.180177 ] [ 0.185942 0.813113 0.499712 ] [ 0.27417 0.255631 0.525792 ] [ 0.921963 0.938083 0.858719 ] [ 0.594848 0.598553 0.207035 ] [ 0.405152 0.401447 0.792965 ] [ 0.72583 0.744369 0.474208 ] [ 0.078037 0.061917 0.141281 ] [ 0.814058 0.186887 0.500288 ] [ 0.459981 0.891295 0.819823 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.77716219 "source-unit" "angstrom" } "b" { "source-value" 5.83141286 "source-unit" "angstrom" } "c" { "source-value" 7.62469538 "source-unit" "angstrom" } "alpha" { "source-value" 72.48887275 "source-unit" "degree" } "beta" { "source-value" 71.33867473 "source-unit" "degree" } "gamma" { "source-value" 71.67102872 "source-unit" "degree" } }