{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.104034 0.5 0.738306 ] [ 0.893 0.5 0.272701 ] [ 0.197821 0.5 0.311147 ] [ 0.604034 0 0.738306 ] [ 0.393 0 0.272701 ] [ 0.697821 0 0.311147 ] [ 0.798574 0.5 0.701727 ] [ 0.298574 0 0.701727 ] [ 0.868175 0 0.316486 ] [ 0.753039 0 0.630568 ] [ 0.139683 0.5 0.003507 ] [ 0.053695 0.5 0.344639 ] [ 0.953629 0.5 0.648132 ] [ 0.869421 0.5 0.021038 ] [ 0.235638 0 0.310241 ] [ 0.133293 0 0.701507 ] [ 0.368175 0.5 0.316486 ] [ 0.253039 0.5 0.630568 ] [ 0.639683 0 0.003507 ] [ 0.553695 0 0.344639 ] [ 0.453629 0 0.648132 ] [ 0.369421 0 0.021038 ] [ 0.735638 0.5 0.310241 ] [ 0.633293 0.5 0.701507 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "Cu" "Cu" "O" "O" "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" 11.90896639 "source-unit" "angstrom" } "b" { "source-value" 3.75174117 "source-unit" "angstrom" } "c" { "source-value" 6.71806752 "source-unit" "angstrom" } "beta" { "source-value" 106.48677246 "source-unit" "degree" } }