{ "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" [ [ 0.75 0.807715 0.919757 ] [ 0.25 0.692285 0.419757 ] [ 0.25 0.535484 0.769823 ] [ 0.75 0.307715 0.580243 ] [ 0.75 0.964516 0.269823 ] [ 0.25 0.035484 0.730177 ] [ 0.25 0.192285 0.080243 ] [ 0.75 0.464516 0.230177 ] [ 0.75 0.747912 0.584636 ] [ 0.25 0.252088 0.415364 ] [ 0.25 0.752088 0.084636 ] [ 0.75 0.247912 0.915364 ] [ 0.937567 0.281708 0.856397 ] [ 0.062433 0.218292 0.356397 ] [ 0.062433 0.718292 0.143603 ] [ 0.562433 0.781708 0.643603 ] [ 0.75 0.177868 0.033638 ] [ 0.25 0.822132 0.966362 ] [ 0.937567 0.781708 0.643603 ] [ 0.75 0.677868 0.466362 ] [ 0.562433 0.281708 0.856397 ] [ 0.25 0.322132 0.533638 ] [ 0.437567 0.718292 0.143603 ] [ 0.437567 0.218292 0.356397 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "C" "C" "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" 6.03579086 "source-unit" "angstrom" } "b" { "source-value" 7.61849143 "source-unit" "angstrom" } "c" { "source-value" 10.12631738 "source-unit" "angstrom" } }