{ "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" [ [ 0.244537 0.75 0.072431 ] [ 0.752815 0.001313 0.241002 ] [ 0.752815 0.498687 0.241002 ] [ 0.247185 0.501313 0.758998 ] [ 0.247185 0.998687 0.758998 ] [ 0.755463 0.25 0.927569 ] [ 0.216866 0.25 0.326875 ] [ 0.783134 0.75 0.673125 ] [ 0.269777 0.25 0.061451 ] [ 0.730223 0.75 0.938549 ] [ 0.288566 0.75 0.422777 ] [ 0.711434 0.25 0.577223 ] [ 0.685122 0.75 0.082773 ] [ 0.034745 0.25 0.124021 ] [ 0.464168 0.25 0.170667 ] [ 0.205898 0.946666 0.311124 ] [ 0.205898 0.553334 0.311124 ] [ 0.604469 0.75 0.460149 ] [ 0.868537 0.25 0.416334 ] [ 0.131463 0.75 0.583666 ] [ 0.395531 0.25 0.539851 ] [ 0.794102 0.446666 0.688876 ] [ 0.794102 0.053334 0.688876 ] [ 0.535832 0.75 0.829333 ] [ 0.965255 0.75 0.875979 ] [ 0.314878 0.25 0.917227 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "B" "B" "As" "As" "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" 5.37142724 "source-unit" "angstrom" } "b" { "source-value" 6.75510782 "source-unit" "angstrom" } "c" { "source-value" 9.16493561 "source-unit" "angstrom" } "beta" { "source-value" 91.36322417 "source-unit" "degree" } }