{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.654714 0.25 ] [ 0 0.345286 0.75 ] [ 0.776333 0.90147 0.27908 ] [ 0.223667 0.90147 0.22092 ] [ 0.223667 0.09853 0.72092 ] [ 0.776333 0.09853 0.77908 ] [ 0.5 0.154714 0.25 ] [ 0.5 0.845286 0.75 ] [ 0.276333 0.40147 0.27908 ] [ 0.723667 0.40147 0.22092 ] [ 0.723667 0.59853 0.72092 ] [ 0.276333 0.59853 0.77908 ] [ 0 0.822389 0.75 ] [ 0 0.177611 0.25 ] [ 0.5 0.322389 0.75 ] [ 0.5 0.677611 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.782037 0.819024 0.687267 ] [ 0.217963 0.819024 0.812733 ] [ 0.217963 0.180976 0.312733 ] [ 0.782037 0.180976 0.187267 ] [ 0.622049 0.980712 0.984539 ] [ 0.377951 0.980712 0.515461 ] [ 0.377951 0.019288 0.015461 ] [ 0.622049 0.019288 0.484539 ] [ 0 0.962889 0.75 ] [ 0 0.037111 0.25 ] [ 0 0.681751 0.75 ] [ 0 0.318249 0.25 ] [ 0.965102 0.820068 0.034543 ] [ 0.034898 0.820068 0.465457 ] [ 0.034898 0.179932 0.965457 ] [ 0.965102 0.179932 0.534543 ] [ 0.282037 0.319024 0.687267 ] [ 0.717963 0.319024 0.812733 ] [ 0.717963 0.680976 0.312733 ] [ 0.282037 0.680976 0.187267 ] [ 0.122049 0.480712 0.984539 ] [ 0.877951 0.480712 0.515461 ] [ 0.877951 0.519288 0.015461 ] [ 0.122049 0.519288 0.484539 ] [ 0.5 0.462889 0.75 ] [ 0.5 0.537111 0.25 ] [ 0.5 0.181751 0.75 ] [ 0.5 0.818249 0.25 ] [ 0.465102 0.320068 0.034543 ] [ 0.534898 0.320068 0.465457 ] [ 0.534898 0.679932 0.965457 ] [ 0.465102 0.679932 0.534543 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Sn" "Sn" "Sn" "Sn" "H" "H" "H" "H" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 9.05945213 "source-unit" "angstrom" } "b" { "source-value" 14.26355848 "source-unit" "angstrom" } "c" { "source-value" 6.95966738 "source-unit" "angstrom" } "beta" { "source-value" 92.39939762 "source-unit" "degree" } }