{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.25 0.5 0.242551 ] [ 0.25 0.5 0.757449 ] [ 0.75 0.5 0.242551 ] [ 0.75 0.5 0.757449 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] [ 0.75 0 0.742551 ] [ 0.75 0 0.257449 ] [ 0.25 0 0.742551 ] [ 0.25 0 0.257449 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0 0.219994 0.886264 ] [ 0.5 0.219994 0.113736 ] [ 0 0.780006 0.113736 ] [ 0.5 0.780006 0.886264 ] [ 0.5 0.719994 0.386264 ] [ 0 0.719994 0.613736 ] [ 0.5 0.280006 0.613736 ] [ 0 0.280006 0.386264 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.6700379044 "source-unit" "angstrom" } "b" { "source-value" 4.8118044194 "source-unit" "angstrom" } "c" { "source-value" 9.53290742743 "source-unit" "angstrom" } }