{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.4719 0.896237 0.217888 ] [ 0.5281 0.396237 0.282112 ] [ 0.4719 0.603763 0.717888 ] [ 0.5281 0.103763 0.782112 ] [ 0.886737 0.377121 0.068519 ] [ 0.113263 0.877121 0.431481 ] [ 0.886737 0.122879 0.568519 ] [ 0.113263 0.622879 0.931481 ] [ 0.885089 0.604045 0.021126 ] [ 0.858699 0.167616 0.044366 ] [ 0.712305 0.390859 0.169766 ] [ 0.428427 0.618539 0.199511 ] [ 0.767857 0.889329 0.187277 ] [ 0.571573 0.118539 0.300489 ] [ 0.232143 0.389329 0.312723 ] [ 0.287695 0.890859 0.330234 ] [ 0.141301 0.667616 0.455634 ] [ 0.114911 0.104045 0.478874 ] [ 0.885089 0.895955 0.521126 ] [ 0.858699 0.332384 0.544366 ] [ 0.712305 0.109141 0.669766 ] [ 0.767857 0.610671 0.687277 ] [ 0.428427 0.881461 0.699511 ] [ 0.232143 0.110671 0.812723 ] [ 0.571573 0.381461 0.800489 ] [ 0.287695 0.609141 0.830234 ] [ 0.141301 0.832384 0.955634 ] [ 0.114911 0.395955 0.978874 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.32268223 "source-unit" "angstrom" } "b" { "source-value" 8.74524174 "source-unit" "angstrom" } "c" { "source-value" 8.87635362 "source-unit" "angstrom" } "beta" { "source-value" 130.70172442 "source-unit" "degree" } }