{ "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" [ [ 0.760236 0.5 0.906447 ] [ 0.245718 0.273335 0.725583 ] [ 0.245718 0.726665 0.725583 ] [ 0.753601 0.775017 0.27519 ] [ 0.753601 0.224983 0.27519 ] [ 0.236489 0 0.09563 ] [ 0.222752 0.5 0.341605 ] [ 0.79279 0 0.667696 ] [ 0.719882 0.5 0.589998 ] [ 0.277347 0 0.414893 ] [ 0.704405 0 0.960538 ] [ 0.296754 0.5 0.032454 ] [ 0.952007 0 0.923799 ] [ 0.356674 0.5 0.885522 ] [ 0.515199 0 0.844853 ] [ 0.828699 0.313016 0.690273 ] [ 0.828699 0.686984 0.690273 ] [ 0.169083 0 0.581172 ] [ 0.405181 0.5 0.576745 ] [ 0.592061 0 0.43712 ] [ 0.810019 0.5 0.418402 ] [ 0.174571 0.184432 0.309664 ] [ 0.174571 0.815568 0.309664 ] [ 0.491475 0.5 0.145042 ] [ 0.642377 0 0.107191 ] [ 0.050091 0.5 0.069468 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Ni" "P" "P" "C" "C" "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" 4.97920906 "source-unit" "angstrom" } "b" { "source-value" 6.49319657 "source-unit" "angstrom" } "c" { "source-value" 8.43783196 "source-unit" "angstrom" } "beta" { "source-value" 94.50734034 "source-unit" "degree" } }