{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.862528 0.75 ] [ 0 0.137472 0.25 ] [ 0.5 0.362528 0.75 ] [ 0.5 0.637472 0.25 ] [ 0 0.437704 0.75 ] [ 0 0.562296 0.25 ] [ 0.5 0.937704 0.75 ] [ 0.5 0.062296 0.25 ] [ 0 0.276578 0.75 ] [ 0 0.723422 0.25 ] [ 0.5 0.776578 0.75 ] [ 0.5 0.223422 0.25 ] [ 0.862436 0.192061 0.81969 ] [ 0.137564 0.192061 0.68031 ] [ 0.862436 0.807939 0.31969 ] [ 0.137564 0.807939 0.18031 ] [ 0.362436 0.692061 0.81969 ] [ 0.637564 0.692061 0.68031 ] [ 0.362436 0.307939 0.31969 ] [ 0.637564 0.307939 0.18031 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "H" "H" "H" "H" "C" "C" "C" "C" "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" 6.30253495421 "source-unit" "angstrom" } "b" { "source-value" 6.90798516649 "source-unit" "angstrom" } "c" { "source-value" 6.23459197013 "source-unit" "angstrom" } "beta" { "source-value" 116.230232561 "source-unit" "degree" } }