{ "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 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.759676 0.5 0.749522 ] [ 0.991705 0.242489 0.760917 ] [ 0.008295 0.242489 0.239083 ] [ 0.758382 0.5 0.275917 ] [ 0.241618 0.5 0.724083 ] [ 0.991705 0.757511 0.760917 ] [ 0.008295 0.757511 0.239083 ] [ 0.240324 0.5 0.250478 ] [ 0.259676 0 0.749522 ] [ 0.491705 0.742489 0.760917 ] [ 0.508295 0.742489 0.239083 ] [ 0.258382 0 0.275917 ] [ 0.741618 0 0.724083 ] [ 0.491705 0.257511 0.760917 ] [ 0.508295 0.257511 0.239083 ] [ 0.740324 0 0.250478 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "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" 10.48376585 "source-unit" "angstrom" } "b" { "source-value" 5.90944804 "source-unit" "angstrom" } "c" { "source-value" 5.96341486 "source-unit" "angstrom" } "beta" { "source-value" 124.59565519 "source-unit" "degree" } }