{ "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 0.894204 0.25 ] [ 0 0.605796 0.75 ] [ 0 0.394204 0.25 ] [ 0.5 0.105796 0.75 ] [ 0 0.864106 0.927712 ] [ 0.5 0.635894 0.427712 ] [ 0 0.864106 0.572288 ] [ 0.5 0.635894 0.072288 ] [ 0.5 0.364106 0.927712 ] [ 0 0.135894 0.427712 ] [ 0.5 0.364106 0.572288 ] [ 0 0.135894 0.072288 ] [ 0.5 0.736644 0.603927 ] [ 0.5 0.736644 0.896073 ] [ 0 0.763356 0.396073 ] [ 0 0.763356 0.103927 ] [ 0.5 0.567776 0.25 ] [ 0 0.932224 0.75 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.236644 0.603927 ] [ 0 0.236644 0.896073 ] [ 0.5 0.263356 0.396073 ] [ 0.5 0.263356 0.103927 ] [ 0 0.067776 0.25 ] [ 0.5 0.432224 0.75 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "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" 3.00577094 "source-unit" "angstrom" } "b" { "source-value" 9.87739629 "source-unit" "angstrom" } "c" { "source-value" 9.85335466 "source-unit" "angstrom" } }