{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.065034 0.180755 0.862343 ] [ 0.065034 0.319245 0.637657 ] [ 0.434966 0.180755 0.137657 ] [ 0.434966 0.319245 0.362343 ] [ 0.434966 0.319245 0.637657 ] [ 0.434966 0.180755 0.862343 ] [ 0.065034 0.319245 0.362343 ] [ 0.065034 0.180755 0.137657 ] [ 0.75 0.386822 0.5 ] [ 0.75 0.113178 0 ] [ 0.25 0.47071 0.163549 ] [ 0.25 0.02929 0.336451 ] [ 0.75 0.97071 0.336451 ] [ 0.75 0.52929 0.163549 ] [ 0.565034 0.680755 0.362343 ] [ 0.565034 0.819245 0.137657 ] [ 0.934966 0.680755 0.637657 ] [ 0.934966 0.819245 0.862343 ] [ 0.934966 0.819245 0.137657 ] [ 0.934966 0.680755 0.362343 ] [ 0.565034 0.819245 0.862343 ] [ 0.565034 0.680755 0.637657 ] [ 0.25 0.886822 0 ] [ 0.25 0.613178 0.5 ] [ 0.75 0.97071 0.663549 ] [ 0.75 0.52929 0.836451 ] [ 0.25 0.47071 0.836451 ] [ 0.25 0.02929 0.663549 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.15066016927 "source-unit" "angstrom" } "b" { "source-value" 7.42672028492 "source-unit" "angstrom" } "c" { "source-value" 10.1347842977 "source-unit" "angstrom" } }