{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.030411 0 0.800199 ] [ 0.138447 0.5 0.473992 ] [ 0.195357 0.5 0.133424 ] [ 0.805562 0.5 0.868459 ] [ 0.864206 0.5 0.52002 ] [ 0.964656 0 0.18678 ] [ 0.530411 0.5 0.800199 ] [ 0.638447 0 0.473992 ] [ 0.695357 0 0.133424 ] [ 0.305562 0 0.868459 ] [ 0.364206 0 0.52002 ] [ 0.464656 0.5 0.18678 ] [ 0.035845 0.5 0.648673 ] [ 0.169798 0 0.964838 ] [ 0.121583 0 0.290765 ] [ 0.79542 0 0.379033 ] [ 0.874534 0 0.727022 ] [ 0.827031 0 0.03654 ] [ 0.535845 0 0.648673 ] [ 0.669798 0.5 0.964838 ] [ 0.621583 0.5 0.290765 ] [ 0.29542 0.5 0.379033 ] [ 0.374534 0.5 0.727022 ] [ 0.327031 0.5 0.03654 ] [ 0.214537 0 0.619369 ] [ 0.96536 0.5 0.338508 ] [ 0.997252 0.5 0.012376 ] [ 0.714537 0.5 0.619369 ] [ 0.46536 0 0.338508 ] [ 0.497252 0 0.012376 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 13.63514627 "source-unit" "angstrom" } "b" { "source-value" 3.27158064 "source-unit" "angstrom" } "c" { "source-value" 8.19391488 "source-unit" "angstrom" } "beta" { "source-value" 100.10025903 "source-unit" "degree" } }