{ "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 ] [ 0.167647 0 0.333278 ] [ 0.332353 0.5 0.666722 ] [ 0.5 0 0 ] [ 0.667647 0.5 0.333278 ] [ 0.832353 0 0.666722 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.167285 0 0.834061 ] [ 0.332715 0.5 0.165939 ] [ 0.667285 0.5 0.834061 ] [ 0.832715 0 0.165939 ] [ 0.162728 0.5 0.59866 ] [ 0.327494 0 0.929984 ] [ 0.337272 0 0.40134 ] [ 0.994193 0 0.260009 ] [ 0.005807 0 0.739991 ] [ 0.172506 0.5 0.070016 ] [ 0.662728 0 0.59866 ] [ 0.827494 0.5 0.929984 ] [ 0.837272 0.5 0.40134 ] [ 0.494193 0.5 0.260009 ] [ 0.505807 0.5 0.739991 ] [ 0.672506 0 0.070016 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "Cr" "Cr" "Cr" "Cr" "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" 12.99877004 "source-unit" "angstrom" } "b" { "source-value" 2.96420625 "source-unit" "angstrom" } "c" { "source-value" 5.94829291 "source-unit" "angstrom" } "beta" { "source-value" 102.86015669 "source-unit" "degree" } }