{ "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 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.5 0 0 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.24096 0 0.761116 ] [ 0.028138 0.257782 0.796619 ] [ 0.758853 0 0.780663 ] [ 0.75904 0 0.238884 ] [ 0.028138 0.742218 0.796619 ] [ 0.971862 0.742218 0.203381 ] [ 0.241147 0 0.219337 ] [ 0.971862 0.257782 0.203381 ] [ 0.74096 0.5 0.761116 ] [ 0.528138 0.757782 0.796619 ] [ 0.258853 0.5 0.780663 ] [ 0.25904 0.5 0.238884 ] [ 0.528138 0.242218 0.796619 ] [ 0.471862 0.242218 0.203381 ] [ 0.741147 0.5 0.219337 ] [ 0.471862 0.757782 0.203381 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ni" "Ni" "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" 10.44570329 "source-unit" "angstrom" } "b" { "source-value" 5.78976886 "source-unit" "angstrom" } "c" { "source-value" 5.81025868 "source-unit" "angstrom" } "beta" { "source-value" 123.22123603 "source-unit" "degree" } }