{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.880319 0.841432 0.929069 ] [ 0.495283 0.490414 0.016977 ] [ 0.129501 0.119918 0.038555 ] [ 0.355001 0.150422 0.54266 ] [ 0.969195 0.764746 0.541646 ] [ 0.198318 0.717281 0.747226 ] [ 0.836997 0.31965 0.166347 ] [ 0.034043 0.151245 0.477775 ] [ 0.646154 0.834225 0.517223 ] [ 0.677721 0.492797 0.491732 ] [ 0.82425 0.332488 0.823798 ] [ 0.505446 0.013857 0.823929 ] [ 0.352785 0.992047 0.31768 ] [ 0.176279 0.65816 0.166488 ] [ 0.310425 0.498306 0.518021 ] [ 0.831814 0.109693 0.346646 ] [ 0.807245 0.8573 0.635498 ] [ 0.473393 0.532172 0.657264 ] [ 0.874859 0.497067 0.290183 ] [ 0.78814 0.151882 0.721813 ] [ 0.472789 0.867051 0.688715 ] [ 0.810229 0.771984 0.364529 ] [ 0.804461 0.508648 0.639974 ] [ 0.513857 0.217631 0.639853 ] [ 0.117648 0.477234 0.067014 ] [ 0.456462 0.790542 0.024508 ] [ 0.845682 0.180891 0.025103 ] [ 0.216894 0.870191 0.953298 ] [ 0.836633 0.490928 0.95376 ] [ 0.534984 0.166365 0.960291 ] [ 0.464842 0.785008 0.411909 ] [ 0.204632 0.483162 0.347832 ] [ 0.168562 0.218823 0.635354 ] [ 0.567708 0.204771 0.309091 ] [ 0.148827 0.787066 0.306906 ] [ 0.106321 0.500595 0.688905 ] [ 0.234414 0.151079 0.276662 ] [ 0.525545 0.487356 0.364778 ] [ 0.188543 0.901776 0.570988 ] ] } "species" { "source-value" [ "K" "K" "K" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.80373816 "source-unit" "angstrom" } "b" { "source-value" 8.80678366 "source-unit" "angstrom" } "c" { "source-value" 8.96492184 "source-unit" "angstrom" } "alpha" { "source-value" 108.19695359 "source-unit" "degree" } "beta" { "source-value" 107.47257729 "source-unit" "degree" } "gamma" { "source-value" 112.08219889 "source-unit" "degree" } }