{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.028371 0.824115 ] [ 0.75 0.971629 0.175885 ] [ 0.25 0.528371 0.675885 ] [ 0.75 0.471629 0.324115 ] [ 0.75 0.858614 0.574138 ] [ 0.25 0.641386 0.074138 ] [ 0.75 0.358614 0.925862 ] [ 0.25 0.141386 0.425862 ] [ 0.25 0.280952 0.108389 ] [ 0.75 0.219048 0.608389 ] [ 0.25 0.780952 0.391611 ] [ 0.75 0.719048 0.891611 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.11124572 "source-unit" "angstrom" } "b" { "source-value" 8.63430661 "source-unit" "angstrom" } "c" { "source-value" 9.25700058 "source-unit" "angstrom" } }