{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.81458 0.810525 ] [ 0.5 0.18542 0.189475 ] [ 0 0.81458 0.189475 ] [ 0 0.18542 0.810525 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0 0.31458 0.310525 ] [ 0 0.68542 0.689475 ] [ 0.5 0.31458 0.689475 ] [ 0.5 0.68542 0.310525 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0 0.798496 0.896585 ] [ 0 0.201504 0.103415 ] [ 0.5 0.798496 0.103415 ] [ 0.5 0.201504 0.896585 ] [ 0.5 0.298496 0.396585 ] [ 0.5 0.701504 0.603415 ] [ 0 0.298496 0.603415 ] [ 0 0.701504 0.396585 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.23650159 "source-unit" "angstrom" } "b" { "source-value" 7.00585093 "source-unit" "angstrom" } "c" { "source-value" 13.69236846 "source-unit" "angstrom" } }