{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.769405 0.504257 0.234379 ] [ 0.769405 0.995743 0.234379 ] [ 0.230595 0.495743 0.765621 ] [ 0.230595 0.004257 0.765621 ] [ 0.21737 0.25 0.350467 ] [ 0.78263 0.75 0.649533 ] [ 0.296499 0.75 0.425992 ] [ 0.703501 0.25 0.574008 ] [ 0.273041 0.25 0.073698 ] [ 0.726959 0.75 0.926302 ] [ 0.716968 0.75 0.063577 ] [ 0.059153 0.25 0.141745 ] [ 0.472185 0.25 0.157988 ] [ 0.206269 0.952166 0.320807 ] [ 0.206269 0.547834 0.320807 ] [ 0.838285 0.25 0.405718 ] [ 0.623447 0.75 0.447987 ] [ 0.376553 0.25 0.552013 ] [ 0.161715 0.75 0.594282 ] [ 0.793731 0.452166 0.679193 ] [ 0.793731 0.047834 0.679193 ] [ 0.527815 0.75 0.842012 ] [ 0.940847 0.75 0.858255 ] [ 0.283032 0.25 0.936423 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "As" "As" "C" "C" "O" "O" "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" 5.29105695 "source-unit" "angstrom" } "b" { "source-value" 6.65432599 "source-unit" "angstrom" } "c" { "source-value" 9.19859537 "source-unit" "angstrom" } "beta" { "source-value" 90.66488453 "source-unit" "degree" } }