{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.112624 0.875613 ] [ 0.5 0.752065 0.942668 ] [ 0 0.247935 0.942668 ] [ 0.5 0.247935 0.057332 ] [ 0 0.752065 0.057332 ] [ 0 0.887376 0.875613 ] [ 0.5 0.887376 0.124387 ] [ 0 0.112624 0.124387 ] [ 0 0.612624 0.375613 ] [ 0 0.252065 0.442668 ] [ 0.5 0.747935 0.442668 ] [ 0 0.747935 0.557332 ] [ 0.5 0.252065 0.557332 ] [ 0.5 0.387376 0.375613 ] [ 0 0.387376 0.624387 ] [ 0.5 0.612624 0.624387 ] [ 0.5 0.821221 0.200426 ] [ 0.5 0.395691 0.093939 ] [ 0 0.604309 0.093939 ] [ 0.5 0.604309 0.906061 ] [ 0 0.178779 0.200426 ] [ 0 0.395691 0.906061 ] [ 0 0.821221 0.799574 ] [ 0.5 0.178779 0.799574 ] [ 0 0.321221 0.700426 ] [ 0 0.895691 0.593939 ] [ 0.5 0.104309 0.593939 ] [ 0 0.104309 0.406061 ] [ 0.5 0.678779 0.700426 ] [ 0.5 0.895691 0.406061 ] [ 0.5 0.321221 0.299574 ] [ 0 0.678779 0.299574 ] ] } "species" { "source-value" [ "Ru" "Ru" "Ru" "Ru" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "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" 5.85656397 "source-unit" "angstrom" } "b" { "source-value" 7.10120411 "source-unit" "angstrom" } "c" { "source-value" 14.20493251 "source-unit" "angstrom" } }