{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.881861 0.504796 0.680831 ] [ 0.381861 0.995204 0.819169 ] [ 0.915141 0.25 0.966792 ] [ 0.881861 0.995204 0.680831 ] [ 0.618139 0.495204 0.180831 ] [ 0.118139 0.495204 0.319169 ] [ 0.084859 0.75 0.033208 ] [ 0.618139 0.004796 0.180831 ] [ 0.584859 0.75 0.466792 ] [ 0.415141 0.25 0.533208 ] [ 0.118139 0.004796 0.319169 ] [ 0.381861 0.504796 0.819169 ] [ 0.679511 0.75 0.908463 ] [ 0.179511 0.75 0.591537 ] [ 0.820489 0.25 0.408463 ] [ 0.320489 0.25 0.091537 ] [ 0.659436 0.25 0.725502 ] [ 0.840564 0.75 0.225502 ] [ 0.159436 0.25 0.774498 ] [ 0.340564 0.75 0.274498 ] [ 0.19836 0.434213 0.054276 ] [ 0.873442 0.25 0.233074 ] [ 0.80164 0.565787 0.945724 ] [ 0.30164 0.934213 0.554276 ] [ 0.30164 0.565787 0.554276 ] [ 0.69836 0.434213 0.445724 ] [ 0.19836 0.065787 0.054276 ] [ 0.525078 0.25 0.999452 ] [ 0.80164 0.934213 0.945724 ] [ 0.69836 0.065787 0.445724 ] [ 0.474922 0.75 0.000548 ] [ 0.373442 0.25 0.266926 ] [ 0.025078 0.25 0.500548 ] [ 0.974922 0.75 0.499452 ] [ 0.626558 0.75 0.733074 ] [ 0.126558 0.75 0.766926 ] [ 0.599005 0.142854 0.706753 ] [ 0.599005 0.357146 0.706753 ] [ 0.900995 0.642854 0.206753 ] [ 0.283296 0.25 0.739603 ] [ 0.716704 0.75 0.260397 ] [ 0.099005 0.142854 0.793247 ] [ 0.216704 0.75 0.239603 ] [ 0.783296 0.25 0.760397 ] [ 0.400995 0.642854 0.293247 ] [ 0.900995 0.857146 0.206753 ] [ 0.400995 0.857146 0.293247 ] [ 0.099005 0.357146 0.793247 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Co" "Co" "Co" "Co" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 9.61565867 "source-unit" "angstrom" } "b" { "source-value" 10.27788413 "source-unit" "angstrom" } "c" { "source-value" 12.7956276 "source-unit" "angstrom" } }