{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.818544 0.25 ] [ 0 0.181456 0.75 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.318544 0.25 ] [ 0.5 0.681456 0.75 ] [ 0 0.852881 0.75 ] [ 0 0.147119 0.25 ] [ 0.5 0.352881 0.75 ] [ 0.5 0.647119 0.25 ] [ 0 0.750166 0.935887 ] [ 0 0.249834 0.435887 ] [ 0 0.249834 0.064113 ] [ 0 0.750166 0.564113 ] [ 0.230386 0.95769 0.75 ] [ 0.769614 0.04231 0.25 ] [ 0.769614 0.95769 0.75 ] [ 0.230386 0.04231 0.25 ] [ 0.5 0.250166 0.935887 ] [ 0.5 0.749834 0.435887 ] [ 0.5 0.749834 0.064113 ] [ 0.5 0.250166 0.564113 ] [ 0.730386 0.45769 0.75 ] [ 0.269614 0.54231 0.25 ] [ 0.269614 0.45769 0.75 ] [ 0.730386 0.54231 0.25 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.88994458585 "source-unit" "angstrom" } "b" { "source-value" 9.34601842864 "source-unit" "angstrom" } "c" { "source-value" 7.2249809 "source-unit" "angstrom" } }