{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.005382 0.245592 0.229105 ] [ 0.230412 0.5 0.703538 ] [ 0.005382 0.754408 0.229105 ] [ 0.751434 0.5 0.73257 ] [ 0.248566 0.5 0.26743 ] [ 0.994618 0.245592 0.770895 ] [ 0.769588 0.5 0.296462 ] [ 0.994618 0.754408 0.770895 ] [ 0.505382 0.745592 0.229105 ] [ 0.730412 0 0.703538 ] [ 0.505382 0.254408 0.229105 ] [ 0.251434 0 0.73257 ] [ 0.748566 0 0.26743 ] [ 0.494618 0.745592 0.770895 ] [ 0.269588 0 0.296462 ] [ 0.494618 0.254408 0.770895 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 10.39094814 "source-unit" "angstrom" } "b" { "source-value" 5.53768781 "source-unit" "angstrom" } "c" { "source-value" 5.6597229 "source-unit" "angstrom" } "beta" { "source-value" 122.34089914 "source-unit" "degree" } }