{ "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 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0 ] [ 0.25 0.75 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.236033 0.5 0.252499 ] [ 0.988811 0.252335 0.202863 ] [ 0.234859 0 0.197482 ] [ 0.763967 0.5 0.747501 ] [ 0.988811 0.747665 0.202863 ] [ 0.011189 0.747665 0.797137 ] [ 0.765141 0 0.802518 ] [ 0.011189 0.252335 0.797137 ] [ 0.736033 0 0.252499 ] [ 0.488811 0.752335 0.202863 ] [ 0.734859 0.5 0.197482 ] [ 0.263967 0 0.747501 ] [ 0.488811 0.247665 0.202863 ] [ 0.511189 0.247665 0.797137 ] [ 0.265141 0.5 0.802518 ] [ 0.511189 0.752335 0.797137 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "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" 10.15670136 "source-unit" "angstrom" } "b" { "source-value" 5.92095666 "source-unit" "angstrom" } "c" { "source-value" 6.06432335 "source-unit" "angstrom" } "beta" { "source-value" 125.69269659 "source-unit" "degree" } }