{ "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" [ [ 0.213919 0.5 0.344612 ] [ 0.192317 0.5 0.858919 ] [ 0 0 0.5 ] [ 0.807683 0.5 0.141081 ] [ 0.786081 0.5 0.655388 ] [ 0.713919 0 0.344612 ] [ 0.692317 0 0.858919 ] [ 0.5 0.5 0.5 ] [ 0.307683 0 0.141081 ] [ 0.286081 0 0.655388 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.855808 0 0.174053 ] [ 0.843092 0 0.683573 ] [ 0 0.5 0 ] [ 0.156908 0 0.316427 ] [ 0.144192 0 0.825947 ] [ 0.355808 0.5 0.174053 ] [ 0.343092 0.5 0.683573 ] [ 0.5 0 0 ] [ 0.656908 0.5 0.316427 ] [ 0.644192 0.5 0.825947 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ta" "Ta" "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" 9.87769102 "source-unit" "angstrom" } "b" { "source-value" 4.0311829 "source-unit" "angstrom" } "c" { "source-value" 5.88051408 "source-unit" "angstrom" } "beta" { "source-value" 108.80704849 "source-unit" "degree" } }