{ "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" [ [ 0.779743 0.502652 0.217022 ] [ 0.779743 0.997348 0.217022 ] [ 0.220257 0.497348 0.782978 ] [ 0.220257 0.002652 0.782978 ] [ 0.287138 0.75 0.419838 ] [ 0.712862 0.25 0.580162 ] [ 0.205511 0.25 0.353666 ] [ 0.794489 0.75 0.646334 ] [ 0.265721 0.25 0.054206 ] [ 0.734279 0.75 0.945794 ] [ 0.697271 0.75 0.088771 ] [ 0.032763 0.25 0.113227 ] [ 0.464016 0.25 0.159178 ] [ 0.173635 0.94621 0.323494 ] [ 0.173635 0.55379 0.323494 ] [ 0.812056 0.25 0.400613 ] [ 0.611409 0.75 0.433869 ] [ 0.388591 0.25 0.566131 ] [ 0.187944 0.75 0.599387 ] [ 0.826365 0.44621 0.676506 ] [ 0.826365 0.05379 0.676506 ] [ 0.535984 0.75 0.840822 ] [ 0.967237 0.75 0.886773 ] [ 0.302729 0.25 0.911229 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Sn" "Sn" "C" "C" "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" 5.11357946 "source-unit" "angstrom" } "b" { "source-value" 6.56807887 "source-unit" "angstrom" } "c" { "source-value" 8.66751657 "source-unit" "angstrom" } "beta" { "source-value" 92.16294208 "source-unit" "degree" } }