{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.472004 0.744769 0.745415 ] [ 0.972004 0.755231 0.745415 ] [ 0.377178 0.301522 0.480722 ] [ 0.122822 0.801522 0.519278 ] [ 0.877178 0.198478 0.480722 ] [ 0.622822 0.698478 0.519278 ] [ 0.027996 0.244769 0.254585 ] [ 0.527996 0.255231 0.254585 ] [ 0.214231 0.244779 0.856828 ] [ 0.714231 0.255221 0.856828 ] [ 0.285769 0.744779 0.143172 ] [ 0.785769 0.755221 0.143172 ] [ 0.166995 0.575965 0.964538 ] [ 0.666995 0.924035 0.964538 ] [ 0.461414 0.409047 0.856823 ] [ 0.961414 0.090953 0.856823 ] [ 0.241191 0.926831 0.755998 ] [ 0.081955 0.421095 0.691918 ] [ 0.741191 0.573169 0.755998 ] [ 0.581955 0.078905 0.691918 ] [ 0.371137 0.642931 0.553049 ] [ 0.871137 0.857069 0.553049 ] [ 0.128863 0.142931 0.446951 ] [ 0.628863 0.357069 0.446951 ] [ 0.418045 0.921095 0.308082 ] [ 0.258809 0.426831 0.244002 ] [ 0.918045 0.578905 0.308082 ] [ 0.758809 0.073169 0.244002 ] [ 0.038586 0.909047 0.143177 ] [ 0.538586 0.590953 0.143177 ] [ 0.333005 0.075965 0.035462 ] [ 0.833005 0.424035 0.035462 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.41644969 "source-unit" "angstrom" } "b" { "source-value" 5.13619843 "source-unit" "angstrom" } "c" { "source-value" 9.92916925 "source-unit" "angstrom" } "beta" { "source-value" 109.71572462 "source-unit" "degree" } }