{ "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" [ [ 0.160919 0.25 0.185619 ] [ 0.839081 0.75 0.814381 ] [ 0.70448 0.25 0.49064 ] [ 0.29552 0.75 0.50936 ] [ 0.361493 0.75 0.023913 ] [ 0.638507 0.25 0.976087 ] [ 0.212456 0.25 0.760009 ] [ 0.787544 0.75 0.239991 ] [ 0.648403 0.971648 0.166118 ] [ 0.351597 0.471648 0.833882 ] [ 0.351597 0.028352 0.833882 ] [ 0.648403 0.528352 0.166118 ] [ 0.049868 0.75 0.174468 ] [ 0.792916 0.75 0.445499 ] [ 0.950132 0.25 0.825532 ] [ 0.207084 0.25 0.554501 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Na" "Na" "As" "As" "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" 6.17929473 "source-unit" "angstrom" } "b" { "source-value" 6.27763876 "source-unit" "angstrom" } "c" { "source-value" 8.41885779 "source-unit" "angstrom" } "beta" { "source-value" 92.50017082 "source-unit" "degree" } }