{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.930351 0.697476 ] [ 0.25 0.569649 0.197476 ] [ 0.75 0.430351 0.802524 ] [ 0.75 0.069649 0.302524 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.060195 0.886713 ] [ 0.127567 0.25833 0.596711 ] [ 0.372433 0.25833 0.596711 ] [ 0.75 0.157295 0.925782 ] [ 0.75 0.342705 0.425782 ] [ 0.127567 0.24167 0.096711 ] [ 0.372433 0.24167 0.096711 ] [ 0.25 0.439805 0.386713 ] [ 0.75 0.560195 0.613287 ] [ 0.872433 0.75833 0.903289 ] [ 0.627567 0.75833 0.903289 ] [ 0.25 0.657295 0.574218 ] [ 0.25 0.842705 0.074218 ] [ 0.872433 0.74167 0.403289 ] [ 0.627567 0.74167 0.403289 ] [ 0.75 0.939805 0.113287 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "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" 5.48180559 "source-unit" "angstrom" } "b" { "source-value" 6.43871984 "source-unit" "angstrom" } "c" { "source-value" 11.04898071 "source-unit" "angstrom" } }