{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.332868 0.875254 0.405468 ] [ 0.332868 0.124746 0.905468 ] [ 0.167132 0.375254 0.094532 ] [ 0.167132 0.624746 0.594532 ] [ 0.832868 0.375254 0.405468 ] [ 0.832868 0.624746 0.905468 ] [ 0.667132 0.875254 0.094532 ] [ 0.667132 0.124746 0.594532 ] [ 0.157197 0.871219 0.075453 ] [ 0.157197 0.128781 0.575453 ] [ 0.5 0.119775 0.25 ] [ 0 0.380225 0.75 ] [ 0.342803 0.371219 0.424547 ] [ 0.342803 0.628781 0.924547 ] [ 0.657197 0.371219 0.075453 ] [ 0.657197 0.628781 0.575453 ] [ 0 0.619775 0.25 ] [ 0.5 0.880225 0.75 ] [ 0.842803 0.871219 0.424547 ] [ 0.842803 0.128781 0.924547 ] [ 0.279551 0.807473 0.210568 ] [ 0.330105 0.043734 0.288348 ] [ 0.379356 0.200461 0.122494 ] [ 0.052233 0.215138 0.456355 ] [ 0.339007 0.950408 0.042213 ] [ 0.522938 0.446955 0.39447 ] [ 0.279551 0.192527 0.710568 ] [ 0.477062 0.446955 0.10553 ] [ 0.160993 0.450408 0.457787 ] [ 0.947767 0.215138 0.043645 ] [ 0.620644 0.200461 0.377506 ] [ 0.330105 0.956266 0.788348 ] [ 0.169895 0.543734 0.211652 ] [ 0.879356 0.299539 0.622494 ] [ 0.552233 0.284862 0.956355 ] [ 0.339007 0.049592 0.542213 ] [ 0.022938 0.053045 0.89447 ] [ 0.220449 0.307473 0.289432 ] [ 0.977062 0.053045 0.60553 ] [ 0.160993 0.549592 0.957787 ] [ 0.447767 0.284862 0.543645 ] [ 0.120644 0.299539 0.877506 ] [ 0.169895 0.456266 0.711652 ] [ 0.220449 0.692527 0.789432 ] [ 0.779551 0.307473 0.210568 ] [ 0.830105 0.543734 0.288348 ] [ 0.879356 0.700461 0.122494 ] [ 0.552233 0.715138 0.456355 ] [ 0.839007 0.450408 0.042213 ] [ 0.022938 0.946955 0.39447 ] [ 0.779551 0.692527 0.710568 ] [ 0.977062 0.946955 0.10553 ] [ 0.660993 0.950408 0.457787 ] [ 0.447767 0.715138 0.043645 ] [ 0.120644 0.700461 0.377506 ] [ 0.830105 0.456266 0.788348 ] [ 0.669895 0.043734 0.211652 ] [ 0.379356 0.799539 0.622494 ] [ 0.052233 0.784862 0.956355 ] [ 0.839007 0.549592 0.542213 ] [ 0.522938 0.553045 0.89447 ] [ 0.720449 0.807473 0.289432 ] [ 0.477062 0.553045 0.60553 ] [ 0.660993 0.049592 0.957787 ] [ 0.947767 0.784862 0.543645 ] [ 0.620644 0.799539 0.877506 ] [ 0.669895 0.956266 0.711652 ] [ 0.720449 0.192527 0.789432 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 7.09424484 "source-unit" "angstrom" } "b" { "source-value" 11.59362182 "source-unit" "angstrom" } "c" { "source-value" 11.30544644 "source-unit" "angstrom" } "beta" { "source-value" 108.17681935 "source-unit" "degree" } }