{ "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 0.259728 0.95779 ] [ 0.25 0.740272 0.04221 ] [ 0.75 0.759728 0.54221 ] [ 0.25 0.240272 0.45779 ] [ 0.561099 0.968275 0.259655 ] [ 0.061099 0.031725 0.740345 ] [ 0.938901 0.468275 0.240345 ] [ 0.438901 0.531725 0.759655 ] [ 0.438901 0.031725 0.740345 ] [ 0.938901 0.968275 0.259655 ] [ 0.061099 0.531725 0.759655 ] [ 0.561099 0.468275 0.240345 ] [ 0.75 0.504781 0.302381 ] [ 0.25 0.495219 0.697619 ] [ 0.75 0.004781 0.197619 ] [ 0.25 0.995219 0.802381 ] [ 0.75 0.098129 0.64724 ] [ 0.25 0.901871 0.35276 ] [ 0.75 0.598129 0.85276 ] [ 0.25 0.401871 0.14724 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22104011 "source-unit" "angstrom" } "b" { "source-value" 8.18682615 "source-unit" "angstrom" } "c" { "source-value" 8.47497826 "source-unit" "angstrom" } }