{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.748477 0.5 ] [ 0.5 0.751523 0 ] [ 0 0.251523 0.5 ] [ 0.5 0.248477 0 ] [ 0.945526 0 0.833345 ] [ 0.053865 0.5 0.173346 ] [ 0.553865 0 0.326654 ] [ 0.946135 0.5 0.826654 ] [ 0.446135 0 0.673346 ] [ 0.554474 0.5 0.333345 ] [ 0.054474 0 0.166655 ] [ 0.445526 0.5 0.666655 ] [ 0.161196 0.5 0.603443 ] [ 0.5 0.29747 0.5 ] [ 0 0.20253 0 ] [ 0.5 0.70253 0.5 ] [ 0 0.79747 0 ] [ 0.838804 0.5 0.396557 ] [ 0.338804 0 0.103443 ] [ 0.16512 0.279465 0.293156 ] [ 0.83488 0.720535 0.706844 ] [ 0.33488 0.779465 0.793156 ] [ 0.16512 0.720535 0.293156 ] [ 0.66512 0.779465 0.206844 ] [ 0.83488 0.279465 0.706844 ] [ 0.66512 0.220535 0.206844 ] [ 0.685155 0.5 0.93367 ] [ 0.33488 0.220535 0.793156 ] [ 0.814845 0 0.43367 ] [ 0.314845 0.5 0.06633 ] [ 0.185155 0 0.56633 ] [ 0.661196 0 0.896557 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.63993222 "source-unit" "angstrom" } "b" { "source-value" 8.82967446 "source-unit" "angstrom" } "c" { "source-value" 12.1742948 "source-unit" "angstrom" } }