{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.252459 0.5 ] [ 0.5 0.752459 0 ] [ 0 0.749312 0.750458 ] [ 0.5 0.249312 0.749542 ] [ 0.5 0.249312 0.250458 ] [ 0 0.749312 0.249542 ] [ 0.248352 0.999404 0.777306 ] [ 0.751648 0.999404 0.777306 ] [ 0.5 0.183872 0.5 ] [ 0.5 0.298426 0 ] [ 0.751648 0.999404 0.222694 ] [ 0.748352 0.499404 0.722694 ] [ 0.748352 0.499404 0.277306 ] [ 0.251648 0.499404 0.277306 ] [ 0 0.683872 0 ] [ 0 0.798426 0.5 ] [ 0.251648 0.499404 0.722694 ] [ 0.248352 0.999404 0.222694 ] ] } "species" { "source-value" [ "Sr" "Sr" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "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" 5.47119546305 "source-unit" "angstrom" } "b" { "source-value" 5.4739023474 "source-unit" "angstrom" } "c" { "source-value" 7.72115410431 "source-unit" "angstrom" } }