{ "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" [ [ 0.562876 0.829941 0.659193 ] [ 0.493465 0.503103 0.006617 ] [ 0.488885 0.166646 0.33512 ] [ 0.959843 0.333756 0.680282 ] [ 0.00896 0.667796 0.334715 ] [ 0.990378 0.994003 0.98803 ] [ 0.800237 0.045652 0.761747 ] [ 0.696348 0.537189 0.77812 ] [ 0.677646 0.881194 0.427086 ] [ 0.318307 0.452682 0.227966 ] [ 0.798073 0.360456 0.441756 ] [ 0.796652 0.6921 0.099794 ] [ 0.698535 0.207643 0.104692 ] [ 0.289839 0.133385 0.566219 ] [ 0.318561 0.795428 0.8957 ] [ 0.200738 0.974103 0.220261 ] [ 0.194447 0.617228 0.579686 ] [ 0.206211 0.307695 0.893015 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 4.82827888 "source-unit" "angstrom" } "b" { "source-value" 5.77194379 "source-unit" "angstrom" } "c" { "source-value" 7.82556229 "source-unit" "angstrom" } "alpha" { "source-value" 84.56611168 "source-unit" "degree" } "beta" { "source-value" 89.61818307 "source-unit" "degree" } "gamma" { "source-value" 89.08402854 "source-unit" "degree" } }