{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.839071 0.050728 0.199643 ] [ 0.339071 0.449272 0.699643 ] [ 0.160929 0.949272 0.800357 ] [ 0.660929 0.550728 0.300357 ] [ 0.551019 0.143523 0.630612 ] [ 0.051019 0.356477 0.130612 ] [ 0.948981 0.643523 0.869388 ] [ 0.448981 0.856477 0.369388 ] [ 0.773166 0.935019 0.462366 ] [ 0.354743 0.847397 0.594851 ] [ 0.488339 0.721334 0.295525 ] [ 0.726834 0.435019 0.037634 ] [ 0.145257 0.347397 0.905149 ] [ 0.226834 0.064981 0.537634 ] [ 0.011661 0.221334 0.204475 ] [ 0.273166 0.564981 0.962366 ] [ 0.988339 0.778666 0.795525 ] [ 0.163567 0.931423 0.161357 ] [ 0.663567 0.568577 0.661357 ] [ 0.336433 0.431423 0.338643 ] [ 0.645257 0.152603 0.405149 ] [ 0.836433 0.068577 0.838643 ] [ 0.511661 0.278666 0.704475 ] [ 0.854743 0.652603 0.094851 ] [ 0.920883 0.40242 0.463493 ] [ 0.579117 0.90242 0.036507 ] [ 0.420883 0.09758 0.963493 ] [ 0.079117 0.59758 0.536507 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.23592222206 "source-unit" "angstrom" } "b" { "source-value" 12.36896129 "source-unit" "angstrom" } "c" { "source-value" 6.66031319869 "source-unit" "angstrom" } "beta" { "source-value" 112.875140247 "source-unit" "degree" } }