{ "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 0.832338 0.25 ] [ 0.5 0.874337 0.75 ] [ 0.5 0.167662 0.75 ] [ 0.5 0.125663 0.25 ] [ 0 0.332338 0.25 ] [ 0 0.374337 0.75 ] [ 0 0.667662 0.75 ] [ 0 0.625663 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.881514 0.75 ] [ 0 0.118486 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0.381514 0.75 ] [ 0.5 0.618486 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.829056 0.25 ] [ 0 0.170944 0.75 ] [ 0.5 0.329056 0.25 ] [ 0.5 0.670944 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" 3.96289417 "source-unit" "angstrom" } "b" { "source-value" 9.5416954 "source-unit" "angstrom" } "c" { "source-value" 6.35291623 "source-unit" "angstrom" } }