{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.008086 0.75 0.730137 ] [ 0.508086 0.25 0.769863 ] [ 0.991914 0.25 0.269863 ] [ 0.491914 0.75 0.230137 ] [ 0.594597 0.75 0.908922 ] [ 0.094597 0.25 0.591078 ] [ 0.405403 0.25 0.091078 ] [ 0.905403 0.75 0.408922 ] [ 0.242817 0.75 0.907538 ] [ 0.742817 0.25 0.592462 ] [ 0.757183 0.25 0.092462 ] [ 0.257183 0.75 0.407538 ] [ 0.763449 0.75 0.562357 ] [ 0.263449 0.25 0.937643 ] [ 0.236551 0.25 0.437643 ] [ 0.736551 0.75 0.062357 ] [ 0.7433 0.973155 0.834057 ] [ 0.2433 0.026845 0.665943 ] [ 0.2567 0.473155 0.165943 ] [ 0.7567 0.526845 0.334057 ] [ 0.2567 0.026845 0.165943 ] [ 0.7567 0.973155 0.334057 ] [ 0.7433 0.526845 0.834057 ] [ 0.2433 0.473155 0.665943 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Zn" "Zn" "Zn" "Zn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.86533533 "source-unit" "angstrom" } "b" { "source-value" 8.70370694 "source-unit" "angstrom" } "c" { "source-value" 14.77396885 "source-unit" "angstrom" } }