{ "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 0.832144 0.5 ] [ 0 0.5 0.5 ] [ 0 0.167856 0.5 ] [ 0.5 0.332144 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.667856 0.5 ] [ 0 0.664998 0 ] [ 0 0.335002 0 ] [ 0.5 0.164998 0 ] [ 0.5 0.835002 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.72232 0 0.221919 ] [ 0.752315 0.826536 0.784476 ] [ 0.752315 0.173464 0.784476 ] [ 0.247685 0.826536 0.215524 ] [ 0.247685 0.173464 0.215524 ] [ 0.27768 0 0.778081 ] [ 0.22232 0.5 0.221919 ] [ 0.252315 0.326536 0.784476 ] [ 0.252315 0.673464 0.784476 ] [ 0.747685 0.326536 0.215524 ] [ 0.747685 0.673464 0.215524 ] [ 0.77768 0.5 0.778081 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "V" "V" "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" 5.03965963 "source-unit" "angstrom" } "b" { "source-value" 8.62849034 "source-unit" "angstrom" } "c" { "source-value" 5.12663026 "source-unit" "angstrom" } "beta" { "source-value" 109.70557632 "source-unit" "degree" } }