{ "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 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.263467 0 0.780037 ] [ 0.749064 0 0.76691 ] [ 0.013131 0.265757 0.781135 ] [ 0.013131 0.734243 0.781135 ] [ 0.986869 0.265757 0.218865 ] [ 0.986869 0.734243 0.218865 ] [ 0.250936 0 0.23309 ] [ 0.736533 0 0.219963 ] [ 0.763467 0.5 0.780037 ] [ 0.249064 0.5 0.76691 ] [ 0.513131 0.765757 0.781135 ] [ 0.513131 0.234243 0.781135 ] [ 0.486869 0.765757 0.218865 ] [ 0.486869 0.234243 0.218865 ] [ 0.750936 0.5 0.23309 ] [ 0.236533 0.5 0.219963 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "V" "V" "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" 10.30193991 "source-unit" "angstrom" } "b" { "source-value" 5.95888624 "source-unit" "angstrom" } "c" { "source-value" 6.06205315 "source-unit" "angstrom" } "beta" { "source-value" 124.91302533 "source-unit" "degree" } }