{ "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 0.272696 0.826847 ] [ 0 0.727304 0.173153 ] [ 0.5 0.272696 0.173153 ] [ 0.5 0.727304 0.826847 ] [ 0.5 0.772696 0.326847 ] [ 0.5 0.227304 0.673153 ] [ 0 0.772696 0.673153 ] [ 0 0.227304 0.326847 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.5 ] [ 0 0.778946 0.911636 ] [ 0.5 0.221054 0.911636 ] [ 0.5 0.778946 0.088364 ] [ 0 0.221054 0.088364 ] [ 0.5 0.278946 0.411636 ] [ 0 0.721054 0.411636 ] [ 0 0.278946 0.588364 ] [ 0.5 0.721054 0.588364 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.12420284652 "source-unit" "angstrom" } "b" { "source-value" 6.16256129857 "source-unit" "angstrom" } "c" { "source-value" 14.9119115718 "source-unit" "angstrom" } }