{ "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 ] [ 0.169343 0 0.3271 ] [ 0.330657 0.5 0.6729 ] [ 0.5 0 0 ] [ 0.669343 0.5 0.3271 ] [ 0.830657 0 0.6729 ] [ 0.169559 0 0.84446 ] [ 0.330441 0.5 0.15554 ] [ 0.669559 0.5 0.84446 ] [ 0.830441 0 0.15554 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.157404 0.5 0.594317 ] [ 0.334528 0 0.931685 ] [ 0.342596 0 0.405683 ] [ 0.004611 0 0.266621 ] [ 0.995389 0 0.733379 ] [ 0.165472 0.5 0.068315 ] [ 0.657404 0 0.594317 ] [ 0.834528 0.5 0.931685 ] [ 0.842596 0.5 0.405683 ] [ 0.504611 0.5 0.266621 ] [ 0.495389 0.5 0.733379 ] [ 0.665472 0 0.068315 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Sn" "Sn" "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" 13.61651477 "source-unit" "angstrom" } "b" { "source-value" 3.073419 "source-unit" "angstrom" } "c" { "source-value" 6.08266105 "source-unit" "angstrom" } "beta" { "source-value" 101.60785283 "source-unit" "degree" } }