{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.969133 0.5 0.770013 ] [ 0.539149 0 0.753214 ] [ 0.460851 0 0.246786 ] [ 0.872079 0 0.064066 ] [ 0.175214 0 0.39263 ] [ 0.824786 0 0.60737 ] [ 0.030867 0.5 0.229987 ] [ 0.286155 0.5 0.098218 ] [ 0.127921 0 0.935934 ] [ 0.713845 0.5 0.901782 ] [ 0.835716 0 0.833458 ] [ 0.164284 0 0.166542 ] [ 0.33416 0.5 0.839026 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.66584 0.5 0.160974 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "N" "N" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.75900913454 "source-unit" "angstrom" } "b" { "source-value" 3.6592725 "source-unit" "angstrom" } "c" { "source-value" 9.24906709342 "source-unit" "angstrom" } "beta" { "source-value" 94.8908659761 "source-unit" "degree" } }