{ "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" [ [ 0.818652 0.423767 0.689685 ] [ 0.681348 0.923767 0.310315 ] [ 0.181348 0.576233 0.310315 ] [ 0.318652 0.076233 0.689685 ] [ 0.916597 0.881053 0.899167 ] [ 0.583403 0.381053 0.100833 ] [ 0.083403 0.118947 0.100833 ] [ 0.416597 0.618947 0.899167 ] [ 0.787978 0.084242 0.950667 ] [ 0.712022 0.584242 0.049333 ] [ 0.287978 0.415758 0.950667 ] [ 0.460411 0.696124 0.67476 ] [ 0.039589 0.196124 0.32524 ] [ 0.539589 0.303876 0.32524 ] [ 0.960411 0.803876 0.67476 ] [ 0.212022 0.915758 0.049333 ] [ 0.520262 0.249571 0.464436 ] [ 0.020262 0.250429 0.464436 ] [ 0.479738 0.750429 0.535564 ] [ 0.673467 0.186717 0.966709 ] [ 0.173467 0.313283 0.966709 ] [ 0.326533 0.813283 0.033291 ] [ 0.979738 0.749571 0.535564 ] [ 0.826533 0.686717 0.033291 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.43426753 "source-unit" "angstrom" } "b" { "source-value" 7.75034674 "source-unit" "angstrom" } "c" { "source-value" 7.67344705 "source-unit" "angstrom" } "beta" { "source-value" 99.8697011 "source-unit" "degree" } }