{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0.646555 0.019403 0.116888 ] [ 0.019403 0.372849 0.883112 ] [ 0.627151 0.646555 0.883112 ] [ 0.333333 0.666667 0.008773 ] [ 0.666667 0.333333 0.991227 ] [ 0.372849 0.353445 0.116888 ] [ 0.980597 0.627151 0.116888 ] [ 0.353445 0.980597 0.883112 ] [ 0.313221 0.352737 0.450222 ] [ 0.68607 0.706182 0.216445 ] [ 0.293818 0.979888 0.216445 ] [ 0 0 0.342107 ] [ 0.333333 0.666667 0.32456 ] [ 0.039515 0.686779 0.450222 ] [ 0.647263 0.960485 0.450222 ] [ 0.020112 0.31393 0.216445 ] [ 0.979888 0.68607 0.783555 ] [ 0.352737 0.039515 0.549778 ] [ 0.960485 0.313221 0.549778 ] [ 0.666667 0.333333 0.67544 ] [ 0 0 0.657893 ] [ 0.706182 0.020112 0.783555 ] [ 0.31393 0.293818 0.783555 ] [ 0.686779 0.647263 0.549778 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.987347 0.692735 0.922626 ] [ 0.692735 0.705388 0.077374 ] [ 0.294612 0.987347 0.077374 ] [ 0.705388 0.012653 0.922626 ] [ 0.307265 0.294612 0.922626 ] [ 0.012653 0.307265 0.077374 ] [ 0.654013 0.026068 0.25596 ] [ 0.359402 0.038722 0.410707 ] [ 0.961278 0.32068 0.410707 ] [ 0.372055 0.345987 0.25596 ] [ 0.973932 0.627945 0.25596 ] [ 0.67932 0.640598 0.410707 ] [ 0.32068 0.359402 0.589293 ] [ 0.026068 0.372055 0.74404 ] [ 0.627945 0.654013 0.74404 ] [ 0.038722 0.67932 0.589293 ] [ 0.640598 0.961278 0.589293 ] [ 0.345987 0.973932 0.74404 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "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" 5.39948473 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }