{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnna" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.186708 ] [ 0.25 0.5 0.313292 ] [ 0.75 0 0.813292 ] [ 0.75 0.5 0.686708 ] [ 0.598409 0.25 0.25 ] [ 0.901591 0.75 0.25 ] [ 0.401591 0.75 0.75 ] [ 0.098409 0.25 0.75 ] [ 0.320289 0.180323 0.063408 ] [ 0.320289 0.319677 0.436592 ] [ 0.179711 0.680323 0.436592 ] [ 0.179711 0.819677 0.063408 ] [ 0.679711 0.819677 0.936592 ] [ 0.679711 0.680323 0.563408 ] [ 0.820289 0.319677 0.563408 ] [ 0.820289 0.180323 0.936592 ] [ 0.00565 0.034417 0.310823 ] [ 0.00565 0.465583 0.189177 ] [ 0.49435 0.534417 0.189177 ] [ 0.49435 0.965583 0.310823 ] [ 0.99435 0.965583 0.689177 ] [ 0.99435 0.534417 0.810823 ] [ 0.50565 0.465583 0.810823 ] [ 0.50565 0.034417 0.689177 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "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" 7.85765899 "source-unit" "angstrom" } "b" { "source-value" 10.50955922 "source-unit" "angstrom" } "c" { "source-value" 10.737248 "source-unit" "angstrom" } }