{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.060132 0.428453 0.889684 ] [ 0.060132 0.571547 0.110316 ] [ 0.939868 0.928453 0.610316 ] [ 0.939868 0.071547 0.389684 ] [ 0.493837 0.09498 0.836031 ] [ 0.493837 0.90502 0.163969 ] [ 0.506163 0.59498 0.663969 ] [ 0.506163 0.40502 0.336031 ] [ 0.440844 0.246311 0.558087 ] [ 0.440844 0.753689 0.441913 ] [ 0.559156 0.746311 0.941913 ] [ 0.559156 0.253689 0.058087 ] [ 0.976609 0.5 0.5 ] [ 0.023391 0 0 ] [ 0.816333 0.272139 0.720492 ] [ 0.816333 0.727861 0.279508 ] [ 0.183667 0.772139 0.779508 ] [ 0.183667 0.227861 0.220492 ] [ 0.564172 0.5 0 ] [ 0.435828 0 0.5 ] [ 0.028648 0.166635 0.946478 ] [ 0.028648 0.833365 0.053522 ] [ 0.971352 0.666635 0.553522 ] [ 0.971352 0.333365 0.446478 ] [ 0.969564 0.168825 0.693723 ] [ 0.969564 0.831175 0.306277 ] [ 0.030436 0.668825 0.806277 ] [ 0.030436 0.331175 0.193723 ] [ 0.634779 0.366306 0.748755 ] [ 0.634779 0.633694 0.251245 ] [ 0.365221 0.866306 0.751245 ] [ 0.365221 0.133694 0.248755 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Co" "Co" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "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" 3.86988082 "source-unit" "angstrom" } "b" { "source-value" 9.89322869 "source-unit" "angstrom" } "c" { "source-value" 14.69099311 "source-unit" "angstrom" } }