{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.803818 0.75 0.232418 ] [ 0.196182 0.25 0.767582 ] [ 0.809715 0.15926 0.647013 ] [ 0.190285 0.65926 0.352987 ] [ 0.190285 0.84074 0.352987 ] [ 0.809715 0.34074 0.647013 ] [ 0.114212 0.75 0.558329 ] [ 0.885788 0.25 0.441671 ] [ 0.273533 0.500329 0.77924 ] [ 0.726467 0.000329 0.22076 ] [ 0.726467 0.499671 0.22076 ] [ 0.273533 0.999671 0.77924 ] [ 0.34297 0.420648 0.56064 ] [ 0.65703 0.920648 0.43936 ] [ 0.65703 0.579352 0.43936 ] [ 0.34297 0.079352 0.56064 ] [ 0.524024 0.095485 0.818531 ] [ 0.475976 0.595485 0.181469 ] [ 0.475976 0.904515 0.181469 ] [ 0.524024 0.404515 0.818531 ] [ 0.348229 0.408868 0.729183 ] [ 0.651771 0.908868 0.270817 ] [ 0.651771 0.591132 0.270817 ] [ 0.348229 0.091132 0.729183 ] [ 0.188827 0.25 0.065397 ] [ 0.811173 0.75 0.934603 ] [ 0.897647 0.25 0.612334 ] [ 0.102353 0.75 0.387666 ] [ 0.919765 0.86222 0.880083 ] [ 0.919765 0.63778 0.880083 ] [ 0.602258 0.75 0.794786 ] [ 0.397742 0.25 0.205214 ] [ 0.080235 0.36222 0.119917 ] [ 0.080235 0.13778 0.119917 ] ] } "species" { "source-value" [ "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "F" "F" "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" 6.21530254793 "source-unit" "angstrom" } "b" { "source-value" 9.81033396 "source-unit" "angstrom" } "c" { "source-value" 6.53783323207 "source-unit" "angstrom" } "beta" { "source-value" 104.959218868 "source-unit" "degree" } }