{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.792785 0.48543 0.164504 ] [ 0.792785 0.01457 0.164504 ] [ 0.207215 0.98543 0.835496 ] [ 0.207215 0.51457 0.835496 ] [ 0.25162 0.25 0.362507 ] [ 0.74838 0.75 0.637493 ] [ 0.274994 0.25 0.075989 ] [ 0.725006 0.75 0.924011 ] [ 0.227987 0.75 0.400725 ] [ 0.772013 0.25 0.599275 ] [ 0.693166 0.75 0.057823 ] [ 0.033228 0.25 0.117384 ] [ 0.487781 0.25 0.178669 ] [ 0.125717 0.934279 0.314967 ] [ 0.125717 0.565721 0.314967 ] [ 0.862578 0.25 0.454938 ] [ 0.534195 0.75 0.422336 ] [ 0.465805 0.25 0.577664 ] [ 0.137422 0.75 0.545062 ] [ 0.874283 0.434279 0.685033 ] [ 0.874283 0.065721 0.685033 ] [ 0.512219 0.75 0.821331 ] [ 0.966772 0.75 0.882616 ] [ 0.306834 0.25 0.942177 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "C" "C" "S" "S" "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" 4.93651621 "source-unit" "angstrom" } "b" { "source-value" 6.49271249 "source-unit" "angstrom" } "c" { "source-value" 9.35344009 "source-unit" "angstrom" } "beta" { "source-value" 97.97592933 "source-unit" "degree" } }