{ "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" [ [ 0.853642 0.175278 0.25 ] [ 0.146358 0.824722 0.75 ] [ 0.146358 0.175278 0.75 ] [ 0.853642 0.824722 0.25 ] [ 0.353642 0.675278 0.25 ] [ 0.646358 0.324722 0.75 ] [ 0.646358 0.675278 0.75 ] [ 0.353642 0.324722 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.229935 0 0.25 ] [ 0.770065 0 0.75 ] [ 0.729935 0.5 0.25 ] [ 0.270065 0.5 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "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" 7.18303722475 "source-unit" "angstrom" } "b" { "source-value" 8.88466180621 "source-unit" "angstrom" } "c" { "source-value" 5.32469776 "source-unit" "angstrom" } }