{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.720816 0.999735 0.14305 ] [ 0.720816 0.000265 0.64305 ] [ 0.789414 0.487974 0.35443 ] [ 0.789414 0.512026 0.85443 ] [ 0.210586 0.487974 0.14557 ] [ 0.210586 0.512026 0.64557 ] [ 0.279184 0.999735 0.35695 ] [ 0.279184 0.000265 0.85695 ] [ 0.847678 0.651509 0.100164 ] [ 0.847678 0.348491 0.600164 ] [ 0.5 0.284061 0.25 ] [ 0.5 0.715939 0.75 ] [ 0.152322 0.651509 0.399836 ] [ 0.152322 0.348491 0.899836 ] [ 0 0.192221 0.25 ] [ 0 0.807779 0.75 ] [ 0.649293 0.846613 0.398537 ] [ 0.649293 0.153387 0.898537 ] [ 0.350707 0.846613 0.101463 ] [ 0.350707 0.153387 0.601463 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "N" "N" "N" "N" "N" "N" "N" "N" "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" 5.81515261 "source-unit" "angstrom" } "b" { "source-value" 5.48971436 "source-unit" "angstrom" } "c" { "source-value" 7.93103862 "source-unit" "angstrom" } "beta" { "source-value" 94.69860104 "source-unit" "degree" } }