{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.519038 0.842769 0 ] [ 0.014171 0.678973 0.244439 ] [ 0.514171 0.321027 0.255561 ] [ 0.019038 0.157231 0.5 ] [ 0.514171 0.321027 0.744439 ] [ 0.014171 0.678973 0.755561 ] [ 0.002421 0.182187 0 ] [ 0.502421 0.817813 0.5 ] [ 0.0963 0.906698 0 ] [ 0.689039 0.191429 0 ] [ 0.090064 0.300216 0.208631 ] [ 0.590064 0.699784 0.291369 ] [ 0.189039 0.808571 0.5 ] [ 0.5963 0.093302 0.5 ] [ 0.590064 0.699784 0.708631 ] [ 0.090064 0.300216 0.791369 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "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" 5.48751703 "source-unit" "angstrom" } "b" { "source-value" 6.01545428 "source-unit" "angstrom" } "c" { "source-value" 7.43863964 "source-unit" "angstrom" } }