{ "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" [ [ 0.69264 0.088382 0.842473 ] [ 0.227573 0.074182 0.54511 ] [ 0.272427 0.574182 0.45489 ] [ 0.772427 0.925818 0.45489 ] [ 0.80736 0.588382 0.157527 ] [ 0.727573 0.425818 0.54511 ] [ 0.30736 0.911618 0.157527 ] [ 0.19264 0.411618 0.842473 ] [ 0.548604 0.634167 0.758189 ] [ 0.951396 0.134167 0.241811 ] [ 0.451396 0.365833 0.241811 ] [ 0.048604 0.865833 0.758189 ] [ 0.808522 0.55451 0.862427 ] [ 0.545869 0.286816 0.07872 ] [ 0.954131 0.786816 0.92128 ] [ 0.454131 0.713184 0.92128 ] [ 0.967905 0.122325 0.699928 ] [ 0.532095 0.622325 0.300072 ] [ 0.032095 0.877675 0.300072 ] [ 0.467905 0.377675 0.699928 ] [ 0.691478 0.05451 0.137573 ] [ 0.191478 0.44549 0.137573 ] [ 0.308522 0.94549 0.862427 ] [ 0.53479 0.830875 0.625666 ] [ 0.96521 0.330875 0.374334 ] [ 0.46521 0.169125 0.374334 ] [ 0.03479 0.669125 0.625666 ] [ 0.045869 0.213184 0.07872 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ge" "Ge" "Ge" "Ge" "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" 9.20015253567 "source-unit" "angstrom" } "b" { "source-value" 8.47277317 "source-unit" "angstrom" } "c" { "source-value" 12.2237117905 "source-unit" "angstrom" } "beta" { "source-value" 106.314422479 "source-unit" "degree" } }