{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.962581 0.150712 0.946604 ] [ 0.462581 0.349288 0.946604 ] [ 0.537419 0.650712 0.053396 ] [ 0.037419 0.849288 0.053396 ] [ 0.538103 0.254769 0.440975 ] [ 0.038103 0.245231 0.440975 ] [ 0.461897 0.745231 0.559025 ] [ 0.961897 0.754769 0.559025 ] [ 0.680036 0.002202 0.317898 ] [ 0.319964 0.997798 0.682102 ] [ 0.180036 0.497798 0.317898 ] [ 0.819964 0.502202 0.682102 ] [ 0.720556 0.325521 0.712696 ] [ 0.034561 0.395253 0.535504 ] [ 0.279444 0.674479 0.287304 ] [ 0.672624 0.992687 0.955053 ] [ 0.779444 0.825521 0.287304 ] [ 0.965439 0.604747 0.464496 ] [ 0.534561 0.104747 0.535504 ] [ 0.547176 0.46765 0.3353 ] [ 0.722497 0.195162 0.27857 ] [ 0.777503 0.695162 0.72143 ] [ 0.452824 0.53235 0.6647 ] [ 0.327376 0.007313 0.044947 ] [ 0.277503 0.804838 0.72143 ] [ 0.827376 0.492687 0.044947 ] [ 0.047176 0.03235 0.3353 ] [ 0.222497 0.304838 0.27857 ] [ 0.952824 0.96765 0.6647 ] [ 0.220556 0.174479 0.712696 ] [ 0.465439 0.895253 0.464496 ] [ 0.172624 0.507313 0.955053 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Y" "Y" "Y" "Y" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.39222053823 "source-unit" "angstrom" } "b" { "source-value" 11.91321082 "source-unit" "angstrom" } "c" { "source-value" 6.54989500632 "source-unit" "angstrom" } "beta" { "source-value" 113.723900345 "source-unit" "degree" } }