{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.999742 0.746 0.75 ] [ 0.499742 0.254 0.25 ] [ 0.500258 0.746 0.75 ] [ 0.000258 0.254 0.25 ] [ 0.25 0.030527 0.75 ] [ 0.75 0.969473 0.25 ] [ 0.75 0.46115 0.75 ] [ 0.25 0.53885 0.25 ] [ 0.25 0.603435 0.608405 ] [ 0.75 0.396565 0.391595 ] [ 0.25 0.603435 0.891595 ] [ 0.75 0.396565 0.108405 ] [ 0.25 0.111248 0.391859 ] [ 0.75 0.888752 0.608141 ] [ 0.25 0.111248 0.108141 ] [ 0.75 0.888752 0.891859 ] ] } "species" { "source-value" [ "Ru" "Ru" "Ru" "Ru" "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" 5.92598027 "source-unit" "angstrom" } "b" { "source-value" 7.14166256 "source-unit" "angstrom" } "c" { "source-value" 12.41300445 "source-unit" "angstrom" } }