{ "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" [ [ 0.999134 0.157925 0.362467 ] [ 0.000866 0.657925 0.137533 ] [ 0.000866 0.842075 0.637533 ] [ 0.999134 0.342075 0.862467 ] [ 0.314125 0.654346 0.412916 ] [ 0.685875 0.154346 0.087084 ] [ 0.685875 0.345654 0.587084 ] [ 0.314125 0.845654 0.912916 ] [ 0.188562 0.184239 0.124742 ] [ 0.811438 0.684239 0.375258 ] [ 0.811438 0.815761 0.875258 ] [ 0.188562 0.315761 0.624742 ] [ 0.493001 0.116635 0.338667 ] [ 0.506999 0.616635 0.161333 ] [ 0.506999 0.883365 0.661333 ] [ 0.493001 0.383365 0.838667 ] [ 0.043202 0.321873 0.032811 ] [ 0.956798 0.821873 0.467189 ] [ 0.956798 0.678127 0.967189 ] [ 0.043202 0.178127 0.532811 ] [ 0.346448 0.07552 0.04123 ] [ 0.653552 0.57552 0.45877 ] [ 0.653552 0.92448 0.95877 ] [ 0.346448 0.42448 0.54123 ] [ 0.394629 0.363739 0.143923 ] [ 0.605371 0.863739 0.356077 ] [ 0.605371 0.636261 0.856077 ] [ 0.394629 0.136261 0.643923 ] [ 0.033046 0.309558 0.206245 ] [ 0.966954 0.809558 0.293755 ] [ 0.966954 0.690442 0.793755 ] [ 0.033046 0.190442 0.706245 ] [ 0.299571 0.504592 0.901424 ] [ 0.700429 0.004592 0.598576 ] [ 0.700429 0.495408 0.098576 ] [ 0.299571 0.995408 0.401424 ] [ 0.680757 0.305951 0.93243 ] [ 0.319243 0.805951 0.56757 ] [ 0.319243 0.694049 0.06757 ] [ 0.680757 0.194049 0.43243 ] [ 0.687358 0.340568 0.758306 ] [ 0.312642 0.840568 0.741694 ] [ 0.312642 0.659432 0.241694 ] [ 0.687358 0.159432 0.258306 ] [ 0.319787 0.445642 0.727942 ] [ 0.680213 0.945642 0.772058 ] [ 0.680213 0.554358 0.272058 ] [ 0.319787 0.054358 0.227942 ] [ 0.345805 0.170847 0.850991 ] [ 0.654195 0.670847 0.649009 ] [ 0.654195 0.829153 0.149009 ] [ 0.345805 0.329153 0.350991 ] [ 0.001538 0.507692 0.609986 ] [ 0.998462 0.007692 0.890014 ] [ 0.998462 0.492308 0.390014 ] [ 0.001538 0.992308 0.109986 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.15839498532 "source-unit" "angstrom" } "b" { "source-value" 7.41020682 "source-unit" "angstrom" } "c" { "source-value" 14.9316023404 "source-unit" "angstrom" } "beta" { "source-value" 95.4036062556 "source-unit" "degree" } }