{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.331128 0.337102 0.167465 ] [ 0.659587 0.672434 0.34697 ] [ 0.375894 0.31891 0.670338 ] [ 0.634995 0.654656 0.824512 ] [ 0.003817 0.024846 0.491615 ] [ 0.988421 0.000111 0.99812 ] [ 0.360334 0.974261 0.33384 ] [ 0.565702 0.559271 0.627522 ] [ 0.656625 0.012767 0.667836 ] [ 0.966981 0.373853 0.329088 ] [ 0.288182 0.701854 0.00104 ] [ 0.693707 0.299991 0.998125 ] [ 0.043791 0.623093 0.667273 ] [ 0.111323 0.107608 0.701321 ] [ 0.762006 0.769394 0.044297 ] [ 0.431754 0.43382 0.375169 ] [ 0.226941 0.231646 0.958757 ] [ 0.898811 0.904384 0.296713 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "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" 5.68335235 "source-unit" "angstrom" } "b" { "source-value" 5.69139836 "source-unit" "angstrom" } "c" { "source-value" 7.67011869 "source-unit" "angstrom" } "alpha" { "source-value" 69.70758438 "source-unit" "degree" } "beta" { "source-value" 69.83302153 "source-unit" "degree" } "gamma" { "source-value" 69.40649733 "source-unit" "degree" } }