{ "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" [ [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.01624 0.763509 0.779081 ] [ 0.254099 0.5 0.779128 ] [ 0.01624 0.236491 0.779081 ] [ 0.250241 0.5 0.229523 ] [ 0.249759 0 0.770477 ] [ 0.48376 0.263509 0.220919 ] [ 0.245901 0 0.220872 ] [ 0.48376 0.736491 0.220919 ] [ 0.51624 0.263509 0.779081 ] [ 0.754099 0 0.779128 ] [ 0.51624 0.736491 0.779081 ] [ 0.750241 0 0.229523 ] [ 0.749759 0.5 0.770477 ] [ 0.98376 0.763509 0.220919 ] [ 0.745901 0.5 0.220872 ] [ 0.98376 0.236491 0.220919 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "V" "V" "V" "V" "O" "O" "O" "O" "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" 10.3860168 "source-unit" "angstrom" } "b" { "source-value" 5.97081219 "source-unit" "angstrom" } "c" { "source-value" 6.03156506 "source-unit" "angstrom" } "beta" { "source-value" 125.44944339 "source-unit" "degree" } }