{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.692352 0 0 ] [ 0 0.201943 0.5 ] [ 0 0.798057 0.5 ] [ 0.307648 0 0 ] [ 0.192352 0.5 0 ] [ 0.5 0.701943 0.5 ] [ 0.5 0.298057 0.5 ] [ 0.807648 0.5 0 ] ] } "species" { "source-value" [ "Ta" "Ta" "Al" "Al" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.43056398 "source-unit" "angstrom" } "b" { "source-value" 6.52277518 "source-unit" "angstrom" } "c" { "source-value" 3.00845766 "source-unit" "angstrom" } }