{ "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" [ [ 0.27688 0.968234 0.243781 ] [ 0.72312 0.468234 0.256219 ] [ 0.27688 0.531766 0.743781 ] [ 0.72312 0.031766 0.756219 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.06165 0.898056 0.962942 ] [ 0.93835 0.398056 0.537058 ] [ 0.06165 0.601944 0.462942 ] [ 0.93835 0.101944 0.037058 ] [ 0.644731 0.415325 0.745083 ] [ 0.729458 0.856646 0.583304 ] [ 0.270542 0.356646 0.916696 ] [ 0.355269 0.915325 0.754917 ] [ 0.644731 0.084675 0.245083 ] [ 0.729458 0.643354 0.083304 ] [ 0.270542 0.143354 0.416696 ] [ 0.355269 0.584675 0.254917 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "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" 4.95966406 "source-unit" "angstrom" } "b" { "source-value" 4.90999525 "source-unit" "angstrom" } "c" { "source-value" 9.35770291 "source-unit" "angstrom" } "beta" { "source-value" 120.0939282 "source-unit" "degree" } }