{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.977861 0.00804 0.75 ] [ 0.477861 0.49196 0.75 ] [ 0.522139 0.50804 0.25 ] [ 0.022139 0.99196 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.724524 0.274612 0.542309 ] [ 0.224524 0.225388 0.957691 ] [ 0.775476 0.774612 0.457691 ] [ 0.275476 0.725388 0.042309 ] [ 0.275476 0.725388 0.457691 ] [ 0.775476 0.774612 0.042309 ] [ 0.224524 0.225388 0.542309 ] [ 0.724524 0.274612 0.957691 ] [ 0.017151 0.577297 0.75 ] [ 0.517151 0.922703 0.75 ] [ 0.482849 0.077297 0.25 ] [ 0.982849 0.422703 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ce" "Ce" "Ce" "Ce" "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" 6.28952 "source-unit" "angstrom" } "b" { "source-value" 6.29316371 "source-unit" "angstrom" } "c" { "source-value" 8.86522902 "source-unit" "angstrom" } }