{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.982311 0.250633 0.698366 ] [ 0.982311 0.749367 0.698366 ] [ 0.30195 0.24919 0.283811 ] [ 0.30195 0.75081 0.283811 ] [ 0.714807 0.74933 0.015909 ] [ 0.714807 0.25067 0.015909 ] [ 0.359657 0 0.987222 ] [ 0.012096 0 0.371438 ] [ 0.012417 0.5 0.373121 ] [ 0.35893 0.5 0.993225 ] [ 0.632956 0 0.641037 ] [ 0.631784 0.5 0.640049 ] [ 0.997359 0 0.999193 ] [ 0.997604 0.5 0.997366 ] [ 0.666011 0.251629 0.334756 ] [ 0.666011 0.748371 0.334756 ] [ 0.335864 0.251616 0.667173 ] [ 0.335864 0.748384 0.667173 ] [ 0.915366 0.5 0.803816 ] [ 0.916732 0 0.80499 ] [ 0.580232 0.250049 0.443195 ] [ 0.580232 0.749951 0.443195 ] [ 0.191187 0 0.112537 ] [ 0.192951 0.5 0.108696 ] [ 0.859724 0.249949 0.420281 ] [ 0.859724 0.750051 0.420281 ] [ 0.558016 0.253537 0.140889 ] [ 0.558016 0.746463 0.140889 ] [ 0.253776 0.253625 0.779341 ] [ 0.253776 0.746375 0.779341 ] [ 0.883203 0 0.078682 ] [ 0.887196 0.5 0.0804 ] [ 0.52943 0.250365 0.747157 ] [ 0.52943 0.749635 0.747157 ] [ 0.22316 0.749965 0.473236 ] [ 0.22316 0.250035 0.473236 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.25220835 "source-unit" "angstrom" } "b" { "source-value" 6.32669338 "source-unit" "angstrom" } "c" { "source-value" 8.25655425 "source-unit" "angstrom" } "beta" { "source-value" 119.90565756 "source-unit" "degree" } }