{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.077787 0.25 ] [ 0.5 0.922213 0.75 ] [ 0 0.263571 0.25 ] [ 0.5 0.236429 0.75 ] [ 0 0.577787 0.25 ] [ 0 0.422213 0.75 ] [ 0.5 0.763571 0.25 ] [ 0 0.736429 0.75 ] [ 0 0.08154 0.75 ] [ 0 0.91846 0.25 ] [ 0.5 0.58154 0.75 ] [ 0.5 0.41846 0.25 ] [ 0.5 0.091918 0.75 ] [ 0 0.073279 0.25 ] [ 0 0.926721 0.75 ] [ 0.5 0.908082 0.25 ] [ 0 0.591918 0.75 ] [ 0.5 0.573279 0.25 ] [ 0.5 0.426721 0.75 ] [ 0 0.408082 0.25 ] [ 0.5 0.259498 0.25 ] [ 0 0.240502 0.75 ] [ 0 0.759498 0.25 ] [ 0.5 0.740502 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.95615306 "source-unit" "angstrom" } "b" { "source-value" 14.2210266 "source-unit" "angstrom" } "c" { "source-value" 3.99050857 "source-unit" "angstrom" } }