{ "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 0.989623 0.224275 ] [ 0.75 0.010377 0.775725 ] [ 0.25 0.489623 0.275725 ] [ 0.75 0.510377 0.724275 ] [ 0.25 0.809974 0.569541 ] [ 0.75 0.190026 0.430459 ] [ 0.25 0.309974 0.930459 ] [ 0.75 0.690026 0.069541 ] [ 0.25 0.781844 0.903698 ] [ 0.75 0.218156 0.096302 ] [ 0.25 0.281844 0.596302 ] [ 0.75 0.718156 0.403698 ] [ 0.47472 0.249557 0.694028 ] [ 0.97472 0.750443 0.305972 ] [ 0.02528 0.749557 0.805972 ] [ 0.52528 0.250443 0.194028 ] [ 0.52528 0.750443 0.305972 ] [ 0.02528 0.249557 0.694028 ] [ 0.97472 0.250443 0.194028 ] [ 0.47472 0.749557 0.805972 ] [ 0.25 0.486251 0.533593 ] [ 0.75 0.513749 0.466407 ] [ 0.25 0.986251 0.966407 ] [ 0.75 0.013749 0.033593 ] [ 0.75 0.868558 0.529103 ] [ 0.25 0.131442 0.470897 ] [ 0.75 0.368558 0.970897 ] [ 0.25 0.631442 0.029103 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ru" "Ru" "Ru" "Ru" "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" 6.46549574 "source-unit" "angstrom" } "b" { "source-value" 8.0810448 "source-unit" "angstrom" } "c" { "source-value" 10.63925676 "source-unit" "angstrom" } }