{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.50388 0.978791 0.658967 ] [ 0.455767 0.659746 0.623305 ] [ 0.932794 0.991384 0.110152 ] [ 0.544233 0.159746 0.876695 ] [ 0.067206 0.491384 0.389848 ] [ 0.49612 0.478791 0.841033 ] [ 0.50388 0.521209 0.158967 ] [ 0.932794 0.508616 0.610152 ] [ 0.455767 0.840254 0.123305 ] [ 0.067206 0.008616 0.889848 ] [ 0.544233 0.340254 0.376695 ] [ 0.49612 0.021209 0.341033 ] [ 0.982202 0.311059 0.125014 ] [ 0.017798 0.811059 0.374986 ] [ 0.982202 0.188941 0.625014 ] [ 0.017798 0.688941 0.874986 ] [ 0.445575 0.318742 0.620165 ] [ 0.967472 0.656889 0.130738 ] [ 0.554425 0.818742 0.879835 ] [ 0.032528 0.156889 0.369262 ] [ 0.967472 0.843111 0.630738 ] [ 0.445575 0.181258 0.120165 ] [ 0.032528 0.343111 0.869262 ] [ 0.554425 0.681258 0.379835 ] [ 0.830878 0.326138 0.921424 ] [ 0.321092 0.673454 0.407022 ] [ 0.69971 0.948448 0.883621 ] [ 0.139322 0.022198 0.354834 ] [ 0.123233 0.289671 0.326722 ] [ 0.632009 0.677971 0.848765 ] [ 0.367991 0.177971 0.651235 ] [ 0.876767 0.789671 0.173278 ] [ 0.860678 0.522198 0.145166 ] [ 0.30029 0.448448 0.616379 ] [ 0.169122 0.826138 0.578576 ] [ 0.678908 0.173454 0.092978 ] [ 0.321092 0.826546 0.907022 ] [ 0.830878 0.173862 0.421424 ] [ 0.69971 0.551552 0.383621 ] [ 0.139322 0.477802 0.854834 ] [ 0.123233 0.210329 0.826722 ] [ 0.632009 0.822029 0.348765 ] [ 0.367991 0.322029 0.151235 ] [ 0.876767 0.710329 0.673278 ] [ 0.860678 0.977802 0.645166 ] [ 0.30029 0.051552 0.116379 ] [ 0.678908 0.326546 0.592978 ] [ 0.169122 0.673862 0.078576 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.24363003 "source-unit" "angstrom" } "b" { "source-value" 8.82893462 "source-unit" "angstrom" } "c" { "source-value" 10.49582526 "source-unit" "angstrom" } "beta" { "source-value" 117.59669187 "source-unit" "degree" } }