{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.175805 0.5 0.25 ] [ 0.824195 0.5 0.75 ] [ 0.40985 0.135808 0.25 ] [ 0.59015 0.135808 0.75 ] [ 0.59015 0.864192 0.75 ] [ 0.40985 0.864192 0.25 ] [ 0.985278 0.5 0.25 ] [ 0.014722 0.5 0.75 ] [ 0.631387 0.387886 0.25 ] [ 0.368613 0.387886 0.75 ] [ 0.368613 0.612114 0.75 ] [ 0.631387 0.612114 0.25 ] [ 0.854475 0.311258 0.25 ] [ 0.145525 0.311258 0.75 ] [ 0.145525 0.688742 0.75 ] [ 0.854475 0.688742 0.25 ] [ 0.306557 0 0.25 ] [ 0.693443 0 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "H" "H" "H" "H" "H" "H" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "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" 5.72283175 "source-unit" "angstrom" } "b" { "source-value" 5.87714199 "source-unit" "angstrom" } "c" { "source-value" 6.52669403 "source-unit" "angstrom" } }