{ "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" [ [ 0.5 0.778204 0.421468 ] [ 0.5 0.221796 0.578532 ] [ 0.5 0.778204 0.078532 ] [ 0.5 0.221796 0.921468 ] [ 0 0.278204 0.421468 ] [ 0 0.721796 0.578532 ] [ 0 0.278204 0.078532 ] [ 0 0.721796 0.921468 ] [ 0 0.138799 0.75 ] [ 0 0.861201 0.25 ] [ 0.5 0.930423 0.881231 ] [ 0.5 0.069577 0.118769 ] [ 0.5 0.069577 0.381231 ] [ 0.5 0.930423 0.618769 ] [ 0.5 0.638799 0.75 ] [ 0.5 0.361201 0.25 ] [ 0 0.430423 0.881231 ] [ 0 0.569577 0.118769 ] [ 0 0.569577 0.381231 ] [ 0 0.430423 0.618769 ] [ 0 0.832175 0.75 ] [ 0 0.099492 0.545192 ] [ 0 0.900508 0.045192 ] [ 0 0.099492 0.954808 ] [ 0 0.167825 0.25 ] [ 0 0.900508 0.454808 ] [ 0.5 0.332175 0.75 ] [ 0.5 0.599492 0.545192 ] [ 0.5 0.400508 0.045192 ] [ 0.5 0.599492 0.954808 ] [ 0.5 0.667825 0.25 ] [ 0.5 0.400508 0.454808 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.13240883 "source-unit" "angstrom" } "b" { "source-value" 11.16939986 "source-unit" "angstrom" } "c" { "source-value" 13.88789068 "source-unit" "angstrom" } }