{ "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" [ [ 0.75 0.242447 0.647054 ] [ 0.25 0.257553 0.147054 ] [ 0.75 0.742447 0.852946 ] [ 0.25 0.757553 0.352946 ] [ 0.75 0.065967 0.884368 ] [ 0.75 0.084081 0.393691 ] [ 0.25 0.415919 0.893691 ] [ 0.25 0.434033 0.384368 ] [ 0.75 0.565967 0.615632 ] [ 0.75 0.584081 0.106309 ] [ 0.25 0.915919 0.606309 ] [ 0.25 0.934033 0.115632 ] [ 0.25 0.015544 0.288044 ] [ 0.75 0.080223 0.076669 ] [ 0.25 0.114506 0.521332 ] [ 0.25 0.21353 0.830781 ] [ 0.75 0.28647 0.330781 ] [ 0.75 0.385494 0.021332 ] [ 0.25 0.419777 0.576669 ] [ 0.75 0.484456 0.788044 ] [ 0.25 0.515544 0.211956 ] [ 0.75 0.580223 0.423331 ] [ 0.25 0.614506 0.978668 ] [ 0.25 0.71353 0.669219 ] [ 0.75 0.78647 0.169219 ] [ 0.75 0.885494 0.478668 ] [ 0.25 0.919777 0.923331 ] [ 0.75 0.984456 0.711956 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 3.47124415 "source-unit" "angstrom" } "b" { "source-value" 10.48591692 "source-unit" "angstrom" } "c" { "source-value" 12.33622759 "source-unit" "angstrom" } }