{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.13627 0.63627 0.5 ] [ 0.63627 0.86373 0.5 ] [ 0.86373 0.36373 0.5 ] [ 0.36373 0.13627 0.5 ] [ 0.837662 0.662338 0.5 ] [ 0.337662 0.837662 0.5 ] [ 0.662338 0.162338 0.5 ] [ 0.162338 0.337662 0.5 ] ] } "species" { "source-value" [ "Tm" "Tm" "B" "B" "B" "B" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.3308718 "source-unit" "angstrom" } "c" { "source-value" 3.4822308 "source-unit" "angstrom" } }