{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.426667 0.818712 ] [ 0.5 0.573333 0.181288 ] [ 0.5 0.926667 0.681288 ] [ 0.5 0.073333 0.318712 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0.135472 0.806306 ] [ 0 0.864528 0.193694 ] [ 0 0.635472 0.693694 ] [ 0 0.364528 0.306306 ] [ 0.5 0.274497 0.551355 ] [ 0.5 0.725503 0.448645 ] [ 0.5 0.225503 0.051355 ] [ 0.5 0.774497 0.948645 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Pb" "Pb" "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" 3.55807575 "source-unit" "angstrom" } "b" { "source-value" 6.23841909 "source-unit" "angstrom" } "c" { "source-value" 10.23816996 "source-unit" "angstrom" } }