{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.27327 0.852112 0.75 ] [ 0.72673 0.147888 0.25 ] [ 0 0.161857 0 ] [ 0 0.838143 0.5 ] [ 0 0.838143 0 ] [ 0 0.161857 0.5 ] [ 0.72673 0.852112 0.25 ] [ 0.27327 0.147888 0.75 ] [ 0.77327 0.352112 0.75 ] [ 0.22673 0.647888 0.25 ] [ 0.5 0.661857 0 ] [ 0.5 0.338143 0.5 ] [ 0.5 0.338143 0 ] [ 0.5 0.661857 0.5 ] [ 0.22673 0.352112 0.25 ] [ 0.77327 0.647888 0.75 ] [ 0.661299 0 0.75 ] [ 0.338701 0 0.25 ] [ 0.161299 0.5 0.75 ] [ 0.838701 0.5 0.25 ] [ 0.961301 0.305526 0.25 ] [ 0.038699 0.694474 0.75 ] [ 0.203708 0 0.007548 ] [ 0.796292 0 0.507548 ] [ 0.203708 0 0.492452 ] [ 0.796292 0 0.992452 ] [ 0.961301 0.694474 0.25 ] [ 0.038699 0.305526 0.75 ] [ 0.461301 0.805526 0.25 ] [ 0.538699 0.194474 0.75 ] [ 0.703708 0.5 0.007548 ] [ 0.296292 0.5 0.507548 ] [ 0.703708 0.5 0.492452 ] [ 0.296292 0.5 0.992452 ] [ 0.461301 0.194474 0.25 ] [ 0.538699 0.805526 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ge" "Ge" "Ge" "Ge" "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" 7.43255021189 "source-unit" "angstrom" } "b" { "source-value" 7.87955350658 "source-unit" "angstrom" } "c" { "source-value" 6.13836503 "source-unit" "angstrom" } }