{ "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" [ [ 0.75 0.75 0 ] [ 0 0 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.225824 0.5 0.256173 ] [ 0.02509 0.26631 0.759354 ] [ 0.02509 0.73369 0.759354 ] [ 0.204419 0 0.241515 ] [ 0.795581 0 0.758485 ] [ 0.97491 0.26631 0.240646 ] [ 0.97491 0.73369 0.240646 ] [ 0.774176 0.5 0.743827 ] [ 0.725824 0 0.256173 ] [ 0.52509 0.76631 0.759354 ] [ 0.52509 0.23369 0.759354 ] [ 0.704419 0.5 0.241515 ] [ 0.295581 0.5 0.758485 ] [ 0.47491 0.76631 0.240646 ] [ 0.47491 0.23369 0.240646 ] [ 0.274176 0 0.743827 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "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" 11.05895886 "source-unit" "angstrom" } "b" { "source-value" 5.81567589 "source-unit" "angstrom" } "c" { "source-value" 5.82704493 "source-unit" "angstrom" } "beta" { "source-value" 121.15426661 "source-unit" "degree" } }