{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.665889 0.012933 0.667169 ] [ 0.665889 0.987067 0.167169 ] [ 0.341022 0.006487 0.418059 ] [ 0.341022 0.993513 0.918059 ] [ 0.165889 0.512933 0.667169 ] [ 0.165889 0.487067 0.167169 ] [ 0.841022 0.506487 0.418059 ] [ 0.841022 0.493513 0.918059 ] [ 0.161937 0.161559 0.133402 ] [ 0.161937 0.838441 0.633402 ] [ 0.661937 0.661559 0.133402 ] [ 0.661937 0.338441 0.633402 ] [ 0.836684 0.837536 0.883221 ] [ 0.836684 0.162464 0.383221 ] [ 0.336684 0.337536 0.883221 ] [ 0.336684 0.662464 0.383221 ] [ 0.167723 0.828231 0.125522 ] [ 0.83766 0.831736 0.376244 ] [ 0.167723 0.171769 0.625522 ] [ 0.83766 0.168264 0.876244 ] [ 0.667723 0.328231 0.125522 ] [ 0.33766 0.331736 0.376244 ] [ 0.667723 0.671769 0.625522 ] [ 0.33766 0.668264 0.876244 ] [ 0.094003 0.838567 0.414725 ] [ 0.90725 0.838454 0.093966 ] [ 0.771807 0.19484 0.167066 ] [ 0.222485 0.196029 0.347309 ] [ 0.693096 0.0408 0.863488 ] [ 0.693096 0.9592 0.363488 ] [ 0.320744 0.048043 0.611728 ] [ 0.320744 0.951957 0.111728 ] [ 0.771807 0.80516 0.667066 ] [ 0.222485 0.803971 0.847309 ] [ 0.094003 0.161433 0.914725 ] [ 0.90725 0.161546 0.593966 ] [ 0.594003 0.338567 0.414725 ] [ 0.40725 0.338454 0.093966 ] [ 0.271807 0.69484 0.167066 ] [ 0.722485 0.696029 0.347309 ] [ 0.193096 0.5408 0.863488 ] [ 0.193096 0.4592 0.363488 ] [ 0.820744 0.548043 0.611728 ] [ 0.820744 0.451957 0.111728 ] [ 0.271807 0.30516 0.667066 ] [ 0.722485 0.303971 0.847309 ] [ 0.594003 0.661433 0.914725 ] [ 0.40725 0.661546 0.593966 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.24524423 "source-unit" "angstrom" } "b" { "source-value" 9.08769967 "source-unit" "angstrom" } "c" { "source-value" 10.46368999 "source-unit" "angstrom" } "beta" { "source-value" 91.59096762 "source-unit" "degree" } }