{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.752633 0.566684 0.245173 ] [ 0.247367 0.066684 0.754827 ] [ 0.77445 0.076154 0.128845 ] [ 0.22555 0.576154 0.871155 ] [ 0.225185 0.223506 0.359976 ] [ 0.774815 0.723506 0.640024 ] [ 0.286617 0.728212 0.441756 ] [ 0.713383 0.228212 0.558244 ] [ 0.276099 0.261463 0.094983 ] [ 0.723901 0.761463 0.905017 ] [ 0.741868 0.816294 0.029063 ] [ 0.07431 0.238243 0.165058 ] [ 0.480508 0.22881 0.16371 ] [ 0.219052 0.917299 0.345662 ] [ 0.231268 0.534469 0.346541 ] [ 0.854772 0.228613 0.428141 ] [ 0.571095 0.730671 0.47453 ] [ 0.428905 0.230671 0.52547 ] [ 0.145228 0.728613 0.571859 ] [ 0.768732 0.034469 0.653459 ] [ 0.780948 0.417299 0.654338 ] [ 0.519492 0.72881 0.83629 ] [ 0.92569 0.738243 0.834942 ] [ 0.258132 0.316294 0.970937 ] ] } "species" { "source-value" [ "K" "K" "Li" "Li" "Mn" "Mn" "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" 5.4423543 "source-unit" "angstrom" } "b" { "source-value" 6.33150562 "source-unit" "angstrom" } "c" { "source-value" 9.82477378 "source-unit" "angstrom" } "beta" { "source-value" 92.73409511 "source-unit" "degree" } }