{ "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 0.766376 0.416867 ] [ 0.75 0.233624 0.583133 ] [ 0.75 0.733624 0.916867 ] [ 0.25 0.266376 0.083133 ] [ 0.75 0.47037 0.132713 ] [ 0.75 0.616149 0.61432 ] [ 0.25 0.52963 0.867287 ] [ 0.25 0.383851 0.38568 ] [ 0.25 0.02963 0.632713 ] [ 0.25 0.883851 0.11432 ] [ 0.75 0.116149 0.88568 ] [ 0.75 0.97037 0.367287 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "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" 3.57147463 "source-unit" "angstrom" } "b" { "source-value" 5.30523342 "source-unit" "angstrom" } "c" { "source-value" 7.31032973 "source-unit" "angstrom" } }