{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.974931 0.422475 0.250586 ] [ 0.474931 0.077525 0.750586 ] [ 0.525069 0.922475 0.250586 ] [ 0.025069 0.577525 0.750586 ] [ 0.483716 0.46922 0.480942 ] [ 0.516284 0.53078 0.980942 ] [ 0.016284 0.96922 0.480942 ] [ 0.983716 0.03078 0.980942 ] [ 0.323681 0.781282 0.962571 ] [ 0.176319 0.281282 0.962571 ] [ 0.823681 0.718718 0.462571 ] [ 0.292751 0.816267 0.531139 ] [ 0.207249 0.316267 0.531139 ] [ 0.792752 0.683733 0.031139 ] [ 0.428152 0.498881 0.259563 ] [ 0.707248 0.183733 0.031139 ] [ 0.928152 0.001119 0.759563 ] [ 0.571848 0.501119 0.759563 ] [ 0.071848 0.998881 0.259563 ] [ 0.676319 0.218718 0.462571 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ge" "Ge" "Ge" "Ge" "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" 7.78259945 "source-unit" "angstrom" } "b" { "source-value" 8.36803851 "source-unit" "angstrom" } "c" { "source-value" 11.40551749 "source-unit" "angstrom" } }