{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.99557 0 0.984305 ] [ 0.638064 0 0.396754 ] [ 0.49557 0.5 0.984305 ] [ 0.138064 0.5 0.396754 ] [ 0.871618 0.5 0.611726 ] [ 0.742361 0.762336 0.990792 ] [ 0.995919 0 0.509778 ] [ 0.742361 0.237664 0.990792 ] [ 0.371618 0 0.611726 ] [ 0.242361 0.262336 0.990792 ] [ 0.495919 0.5 0.509778 ] [ 0.242361 0.737664 0.990792 ] [ 0.007188 0.760204 0.749611 ] [ 0.759187 0 0.791789 ] [ 0.767418 0 0.252042 ] [ 0.507188 0.739796 0.749611 ] [ 0.736357 0.5 0.745209 ] [ 0.753341 0.5 0.221374 ] [ 0.507188 0.260204 0.749611 ] [ 0.259187 0.5 0.791789 ] [ 0.267418 0.5 0.252042 ] [ 0.007188 0.239796 0.749611 ] [ 0.236357 0 0.745209 ] [ 0.253341 0 0.221374 ] [ 0.992799 0.762935 0.247095 ] [ 0.492799 0.737065 0.247095 ] [ 0.492799 0.262935 0.247095 ] [ 0.992799 0.237065 0.247095 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.39510351 "source-unit" "angstrom" } "b" { "source-value" 6.0171224 "source-unit" "angstrom" } "c" { "source-value" 6.0222289 "source-unit" "angstrom" } "beta" { "source-value" 124.42828365 "source-unit" "degree" } }