{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.304067 0 ] [ 0.5 0.131877 0 ] [ 0 0.69648 0.5 ] [ 0.5 0.828968 0.5 ] [ 0 0.895185 0 ] [ 0.5 0.598541 0 ] [ 0 0.079181 0.5 ] [ 0.5 0.396258 0.5 ] [ 0.265625 0.749125 0.136747 ] [ 0.283706 0.439116 0.147365 ] [ 0.208967 0.058663 0.199967 ] [ 0.70251 0.578576 0.332627 ] [ 0.803565 0.91169 0.314925 ] [ 0.783123 0.227013 0.311527 ] [ 0.216877 0.227013 0.688473 ] [ 0.196435 0.91169 0.685075 ] [ 0.29749 0.578576 0.667373 ] [ 0.791033 0.058663 0.800033 ] [ 0.716294 0.439116 0.852635 ] [ 0.734375 0.749125 0.863253 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Te" "Te" "Te" "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" 5.06557539 "source-unit" "angstrom" } "b" { "source-value" 8.8176114 "source-unit" "angstrom" } "c" { "source-value" 5.21258174 "source-unit" "angstrom" } "beta" { "source-value" 93.72506765 "source-unit" "degree" } }