{ "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 0.832627 0.5 ] [ 0 0.167373 0.5 ] [ 0.5 0.332627 0.5 ] [ 0.5 0.667373 0.5 ] [ 0 0.662526 0 ] [ 0 0.337474 0 ] [ 0 0 0 ] [ 0.5 0.162526 0 ] [ 0.5 0.837474 0 ] [ 0.5 0.5 0 ] [ 0.248319 0 0.773436 ] [ 0.76424 0.17135 0.778775 ] [ 0.76424 0.82865 0.778775 ] [ 0.23576 0.17135 0.221225 ] [ 0.23576 0.82865 0.221225 ] [ 0.751681 0 0.226564 ] [ 0.748319 0.5 0.773436 ] [ 0.26424 0.67135 0.778775 ] [ 0.26424 0.32865 0.778775 ] [ 0.73576 0.67135 0.221225 ] [ 0.73576 0.32865 0.221225 ] [ 0.251681 0.5 0.226564 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "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" 5.10236682 "source-unit" "angstrom" } "b" { "source-value" 8.82089677 "source-unit" "angstrom" } "c" { "source-value" 5.27457097 "source-unit" "angstrom" } "beta" { "source-value" 108.58422046 "source-unit" "degree" } }