{ "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" [ [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.75611 0.5 0.73693 ] [ 0.993383 0.249105 0.224665 ] [ 0.993383 0.750895 0.224665 ] [ 0.75337 0 0.752939 ] [ 0.24663 0 0.247061 ] [ 0.006617 0.249105 0.775335 ] [ 0.006617 0.750895 0.775335 ] [ 0.24389 0.5 0.26307 ] [ 0.25611 0 0.73693 ] [ 0.493383 0.749105 0.224665 ] [ 0.493383 0.250895 0.224665 ] [ 0.25337 0.5 0.752939 ] [ 0.74663 0.5 0.247061 ] [ 0.506617 0.749105 0.775335 ] [ 0.506617 0.250895 0.775335 ] [ 0.74389 0 0.26307 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sn" "Sn" "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" 10.41174379 "source-unit" "angstrom" } "b" { "source-value" 6.16683877 "source-unit" "angstrom" } "c" { "source-value" 6.24686159 "source-unit" "angstrom" } "beta" { "source-value" 125.72349486 "source-unit" "degree" } }