{ "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" [ [ 0.99819 0.249399 0.332999 ] [ 0.999066 0.750451 0.000448 ] [ 0.999066 0.249549 0.000448 ] [ 0.99916 0.750233 0.666522 ] [ 0.99916 0.249767 0.666522 ] [ 0.99819 0.750601 0.332999 ] [ 0.502042 0.750228 0.499512 ] [ 0.502042 0.249772 0.499512 ] [ 0.50056 0.750363 0.833378 ] [ 0.50056 0.249637 0.833378 ] [ 0.501425 0.750814 0.166562 ] [ 0.501425 0.249186 0.166562 ] [ 0.21782 0.5 0.506558 ] [ 0.218026 0.5 0.173767 ] [ 0.280648 0 0.673711 ] [ 0.719597 0.5 0.992556 ] [ 0.219652 0.5 0.840239 ] [ 0.281612 0 0.340929 ] [ 0.281201 0 0.007321 ] [ 0.720217 0.5 0.659212 ] [ 0.720745 0.5 0.326812 ] [ 0.77906 0 0.16133 ] [ 0.778483 0 0.49264 ] [ 0.779843 0 0.826988 ] [ 0.093097 0 0.195107 ] [ 0.093324 0 0.861375 ] [ 0.091198 0 0.527058 ] [ 0.407531 0.5 0.695396 ] [ 0.408509 0.5 0.359877 ] [ 0.405766 0.5 0.026548 ] [ 0.596809 0 0.638701 ] [ 0.594773 0 0.971524 ] [ 0.596302 0 0.306043 ] [ 0.904505 0.5 0.140485 ] [ 0.905411 0.5 0.805511 ] [ 0.903047 0.5 0.472245 ] [ 0.042345 0.5 0.763899 ] [ 0.039605 0.5 0.430212 ] [ 0.040896 0.5 0.097704 ] [ 0.096538 0 0.419773 ] [ 0.09776 0 0.087613 ] [ 0.09505 0 0.753966 ] [ 0.164246 0.79786 0.905283 ] [ 0.164246 0.20214 0.905283 ] [ 0.161406 0.798534 0.572217 ] [ 0.161406 0.201466 0.572217 ] [ 0.163495 0.799066 0.240637 ] [ 0.163495 0.200934 0.240637 ] [ 0.337214 0.29744 0.403448 ] [ 0.337214 0.70256 0.403448 ] [ 0.336634 0.299819 0.740519 ] [ 0.336634 0.700181 0.740519 ] [ 0.335054 0.297025 0.069973 ] [ 0.335054 0.702975 0.069973 ] [ 0.404041 0.5 0.587964 ] [ 0.404008 0.5 0.919312 ] [ 0.405971 0.5 0.25259 ] [ 0.45979 0 0.596805 ] [ 0.456732 0 0.931607 ] [ 0.459103 0 0.26493 ] [ 0.54543 0.5 0.735366 ] [ 0.541944 0.5 0.069317 ] [ 0.545405 0.5 0.40204 ] [ 0.597825 0 0.746402 ] [ 0.598868 0 0.079285 ] [ 0.598547 0 0.41363 ] [ 0.664698 0.79916 0.925897 ] [ 0.667382 0.797921 0.594565 ] [ 0.667535 0.797128 0.261393 ] [ 0.667535 0.202872 0.261393 ] [ 0.664698 0.20084 0.925897 ] [ 0.667382 0.202079 0.594565 ] [ 0.834636 0.295686 0.096934 ] [ 0.834636 0.704314 0.096934 ] [ 0.834585 0.297055 0.76166 ] [ 0.832016 0.297028 0.428054 ] [ 0.834585 0.702945 0.76166 ] [ 0.832016 0.702972 0.428054 ] [ 0.903178 0.5 0.247961 ] [ 0.902288 0.5 0.57952 ] [ 0.905193 0.5 0.913121 ] [ 0.954979 0 0.234789 ] [ 0.955223 0 0.903018 ] [ 0.953413 0 0.56724 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.4614499 "source-unit" "angstrom" } "b" { "source-value" 6.09222945 "source-unit" "angstrom" } "c" { "source-value" 14.27934143 "source-unit" "angstrom" } "beta" { "source-value" 90.05260105 "source-unit" "degree" } }