{ "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 0.5 0 ] [ 0.836197 0 0.665132 ] [ 0.663803 0.5 0.334868 ] [ 0.5 0 0 ] [ 0.336197 0.5 0.665132 ] [ 0.163803 0 0.334868 ] [ 0.836959 0 0.174001 ] [ 0.663041 0.5 0.825999 ] [ 0.336959 0.5 0.174001 ] [ 0.163041 0 0.825999 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.831514 0.5 0.398823 ] [ 0.67316 0 0.066149 ] [ 0.668486 0 0.601177 ] [ 0.009095 0 0.754317 ] [ 0.990905 0 0.245683 ] [ 0.82684 0.5 0.933851 ] [ 0.331514 0 0.398823 ] [ 0.17316 0.5 0.066149 ] [ 0.168486 0.5 0.601177 ] [ 0.509095 0.5 0.754317 ] [ 0.490905 0.5 0.245683 ] [ 0.32684 0 0.933851 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Co" "Co" "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" 12.83297233 "source-unit" "angstrom" } "b" { "source-value" 3.00402522 "source-unit" "angstrom" } "c" { "source-value" 5.99170905 "source-unit" "angstrom" } "beta" { "source-value" 104.66451796 "source-unit" "degree" } }