{ "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" [ [ 0.109186 0.924532 0.416373 ] [ 0.890814 0.424532 0.583627 ] [ 0.890814 0.075468 0.583627 ] [ 0.109186 0.575468 0.416373 ] [ 0.191202 0.077184 0.116641 ] [ 0.808798 0.577184 0.883359 ] [ 0.808798 0.922816 0.883359 ] [ 0.191202 0.422816 0.116641 ] [ 0.439 0.75 0.73936 ] [ 0.561 0.25 0.26064 ] [ 0.229053 0.75 0.144211 ] [ 0.770947 0.25 0.855789 ] [ 0.901308 0.75 0.595279 ] [ 0.098692 0.25 0.404721 ] [ 0.413286 0.088639 0.8389 ] [ 0.586714 0.588639 0.1611 ] [ 0.586714 0.911361 0.1611 ] [ 0.413286 0.411361 0.8389 ] [ 0.223812 0.920908 0.849661 ] [ 0.776188 0.420908 0.150339 ] [ 0.776188 0.079092 0.150339 ] [ 0.223812 0.579092 0.849661 ] [ 0.470608 0.102584 0.536211 ] [ 0.529392 0.602584 0.463789 ] [ 0.529392 0.897416 0.463789 ] [ 0.470608 0.397416 0.536211 ] [ 0.801571 0.75 0.162592 ] [ 0.198429 0.25 0.837408 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.78840621409 "source-unit" "angstrom" } "b" { "source-value" 13.66980238 "source-unit" "angstrom" } "c" { "source-value" 8.25073983515 "source-unit" "angstrom" } "beta" { "source-value" 118.034646865 "source-unit" "degree" } }