{ "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" [ [ 0.609926 0.294114 0.632809 ] [ 0.762896 0.964732 0.983084 ] [ 0.237104 0.035268 0.016916 ] [ 0.097789 0.210599 0.640759 ] [ 0.097789 0.289401 0.140759 ] [ 0.390074 0.794114 0.867191 ] [ 0.237104 0.464732 0.516916 ] [ 0.390074 0.705886 0.367191 ] [ 0.609926 0.205886 0.132809 ] [ 0.762896 0.535268 0.483084 ] [ 0.902211 0.789401 0.359241 ] [ 0.902211 0.710599 0.859241 ] [ 0.726597 0.486836 0.026116 ] [ 0.273403 0.986836 0.473884 ] [ 0.726597 0.013164 0.526116 ] [ 0.273403 0.513164 0.973884 ] [ 0.498102 0.39715 0.239268 ] [ 0.498102 0.10285 0.739268 ] [ 0.972789 0.402475 0.778342 ] [ 0.027211 0.902475 0.721658 ] [ 0.501898 0.89715 0.260732 ] [ 0.027211 0.597525 0.221658 ] [ 0.501898 0.60285 0.760732 ] [ 0.972789 0.097525 0.278342 ] [ 0.04001 0.021849 0.674991 ] [ 0.173872 0.846078 0.589882 ] [ 0.173872 0.653922 0.089882 ] [ 0.443981 0.515438 0.25024 ] [ 0.926662 0.37531 0.573819 ] [ 0.616362 0.68241 0.644815 ] [ 0.468089 0.119114 0.522783 ] [ 0.383638 0.18241 0.855185 ] [ 0.383638 0.31759 0.355185 ] [ 0.724598 0.112263 0.768838 ] [ 0.189683 0.127553 0.335738 ] [ 0.926662 0.12469 0.073819 ] [ 0.073338 0.87531 0.926181 ] [ 0.189683 0.372447 0.835738 ] [ 0.95999 0.521849 0.825009 ] [ 0.04001 0.478151 0.174991 ] [ 0.826128 0.153922 0.410118 ] [ 0.810317 0.627553 0.164262 ] [ 0.073338 0.62469 0.426181 ] [ 0.95999 0.978151 0.325009 ] [ 0.275402 0.612263 0.731162 ] [ 0.531911 0.880886 0.477217 ] [ 0.468089 0.380886 0.022783 ] [ 0.556019 0.484562 0.74976 ] [ 0.724598 0.387737 0.268838 ] [ 0.275402 0.887737 0.231162 ] [ 0.556019 0.015438 0.24976 ] [ 0.616362 0.81759 0.144815 ] [ 0.443981 0.984562 0.75024 ] [ 0.531911 0.619114 0.977217 ] [ 0.826128 0.346078 0.910118 ] [ 0.810317 0.872447 0.664262 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ce" "Ce" "Ce" "Ce" "P" "P" "P" "P" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.68822661 "source-unit" "angstrom" } "b" { "source-value" 18.39758532 "source-unit" "angstrom" } "c" { "source-value" 10.24438477 "source-unit" "angstrom" } "beta" { "source-value" 90.85464735 "source-unit" "degree" } }