{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.50856 0.77066 0.399115 ] [ 0 0.5 0.5 ] [ 0.49144 0.22934 0.600885 ] [ 0.035863 0.885242 0.681398 ] [ 0.964137 0.114758 0.318602 ] [ 0.5 0 0 ] [ 0.981391 0.311626 0.896546 ] [ 0.018609 0.688374 0.103454 ] [ 0.230996 0.992999 0.838744 ] [ 0.802544 0.670462 0.937014 ] [ 0.785853 0.88834 0.531603 ] [ 0.261665 0.801072 0.2105 ] [ 0.220859 0.561877 0.645154 ] [ 0.779141 0.438123 0.354846 ] [ 0.738335 0.198928 0.7895 ] [ 0.214147 0.11166 0.468397 ] [ 0.197456 0.329538 0.062986 ] [ 0.769004 0.007001 0.161256 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ti" "Ti" "Mn" "Mn" "Mn" "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" 5.16079652 "source-unit" "angstrom" } "b" { "source-value" 5.20977406 "source-unit" "angstrom" } "c" { "source-value" 7.82389177 "source-unit" "angstrom" } "alpha" { "source-value" 75.54198566 "source-unit" "degree" } "beta" { "source-value" 72.87268719 "source-unit" "degree" } "gamma" { "source-value" 78.55566987 "source-unit" "degree" } }