{ "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" [ [ 0.945705 0.483871 0.687293 ] [ 0.554295 0.983871 0.812707 ] [ 0.054295 0.516129 0.312707 ] [ 0.445705 0.016129 0.187293 ] [ 0.100968 0.156207 0.725642 ] [ 0.399032 0.656207 0.774358 ] [ 0.899032 0.843793 0.274358 ] [ 0.600968 0.343793 0.225642 ] [ 0.859868 0.036055 0.643169 ] [ 0.640132 0.536055 0.856831 ] [ 0.140132 0.963945 0.356831 ] [ 0.359868 0.463945 0.143169 ] [ 0.452513 0.319682 0.367518 ] [ 0.047487 0.819682 0.132482 ] [ 0.547487 0.680318 0.632482 ] [ 0.952513 0.180318 0.867518 ] [ 0.049567 0.830154 0.277209 ] [ 0.450433 0.330154 0.222791 ] [ 0.549567 0.669846 0.777209 ] [ 0.950433 0.169846 0.722791 ] [ 0.841918 0.319714 0.101169 ] [ 0.658082 0.819714 0.398831 ] [ 0.158082 0.680286 0.898831 ] [ 0.341918 0.180286 0.601169 ] [ 0.850835 0.359323 0.611148 ] [ 0.149165 0.640677 0.388852 ] [ 0.649165 0.859323 0.888852 ] [ 0.350835 0.140677 0.111148 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "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" 6.99918823967 "source-unit" "angstrom" } "b" { "source-value" 6.08395334 "source-unit" "angstrom" } "c" { "source-value" 7.24389086289 "source-unit" "angstrom" } "beta" { "source-value" 113.821879931 "source-unit" "degree" } }