{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccc2" } "basis-atom-coordinates" { "source-value" [ [ 0.121385 0.913242 0.49993 ] [ 0.121385 0.086758 0.99993 ] [ 0.878615 0.913242 0.99993 ] [ 0.878615 0.086758 0.49993 ] [ 0.621385 0.413242 0.49993 ] [ 0.621385 0.586758 0.99993 ] [ 0.378615 0.413242 0.99993 ] [ 0.378615 0.586758 0.49993 ] [ 0.4858 0.790112 0.767101 ] [ 0.5142 0.790112 0.267101 ] [ 0.4858 0.209888 0.267101 ] [ 0.5142 0.209888 0.767101 ] [ 0.9858 0.290112 0.767101 ] [ 0.0142 0.290112 0.267101 ] [ 0.9858 0.709888 0.267101 ] [ 0.0142 0.709888 0.767101 ] [ 0.256329 0.898568 0.024985 ] [ 0.743671 0.898568 0.524985 ] [ 0.256329 0.101432 0.524985 ] [ 0.743671 0.101432 0.024985 ] [ 0.756329 0.398568 0.024985 ] [ 0.243671 0.398568 0.524985 ] [ 0.756329 0.601432 0.524985 ] [ 0.243671 0.601432 0.024985 ] [ 0.130976 0.948996 0.038153 ] [ 0.306597 0.870719 0.820541 ] [ 0.332508 0.874609 0.213689 ] [ 0.939523 0.222525 0.50209 ] [ 0.060477 0.222525 0.00209 ] [ 0.130976 0.051004 0.538153 ] [ 0.667492 0.874609 0.713689 ] [ 0.693403 0.870719 0.320541 ] [ 0.306597 0.129281 0.320541 ] [ 0.332508 0.125391 0.713689 ] [ 0.869024 0.948996 0.538153 ] [ 0.939523 0.777475 0.00209 ] [ 0.060477 0.777475 0.50209 ] [ 0.667492 0.125391 0.213689 ] [ 0.693403 0.129281 0.820541 ] [ 0.869024 0.051004 0.038153 ] [ 0.630976 0.448996 0.038153 ] [ 0.806597 0.370719 0.820541 ] [ 0.832508 0.374609 0.213689 ] [ 0.439523 0.722525 0.50209 ] [ 0.560477 0.722525 0.00209 ] [ 0.630976 0.551004 0.538153 ] [ 0.167492 0.374609 0.713689 ] [ 0.193403 0.370719 0.320541 ] [ 0.806597 0.629281 0.320541 ] [ 0.832508 0.625391 0.713689 ] [ 0.369024 0.448996 0.538153 ] [ 0.439523 0.277475 0.00209 ] [ 0.560477 0.277475 0.50209 ] [ 0.167492 0.625391 0.213689 ] [ 0.193403 0.629281 0.820541 ] [ 0.369024 0.551004 0.038153 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.22257554 "source-unit" "angstrom" } "b" { "source-value" 14.51901184 "source-unit" "angstrom" } "c" { "source-value" 5.79405823 "source-unit" "angstrom" } }