{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.919019 0.75 ] [ 0 0.244632 0.75 ] [ 0 0.080981 0.25 ] [ 0 0.755368 0.25 ] [ 0.5 0.419019 0.75 ] [ 0.5 0.744632 0.75 ] [ 0.5 0.580981 0.25 ] [ 0.5 0.255368 0.25 ] [ 0 0.589139 0.75 ] [ 0 0.410861 0.25 ] [ 0.5 0.089139 0.75 ] [ 0.5 0.910861 0.25 ] [ 0.721691 0.92628 0.01213 ] [ 0.278309 0.07372 0.98787 ] [ 0.278309 0.92628 0.48787 ] [ 0.25 0.75 0 ] [ 0.721691 0.07372 0.51213 ] [ 0.75 0.75 0.5 ] [ 0.221691 0.42628 0.01213 ] [ 0.778309 0.57372 0.98787 ] [ 0.778309 0.42628 0.48787 ] [ 0.75 0.25 0 ] [ 0.221691 0.57372 0.51213 ] [ 0.25 0.25 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "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" 5.21886299736 "source-unit" "angstrom" } "b" { "source-value" 8.66861670064 "source-unit" "angstrom" } "c" { "source-value" 5.08653628639 "source-unit" "angstrom" } "beta" { "source-value" 112.085691934 "source-unit" "degree" } }