{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.703289 0.911379 0.612463 ] [ 0.296711 0.088621 0.387537 ] [ 0.969845 0.277637 0.753653 ] [ 0.030155 0.722363 0.246347 ] [ 0.913613 0.462039 0.858494 ] [ 0.086387 0.537961 0.141506 ] [ 0.719068 0.527215 0.572693 ] [ 0.280932 0.472785 0.427307 ] [ 0.509987 0.360047 0.708879 ] [ 0.490013 0.639953 0.291121 ] [ 0.884561 0.324804 0.865024 ] [ 0.115439 0.675196 0.134976 ] [ 0.56921 0.49536 0.675296 ] [ 0.43079 0.50464 0.324704 ] [ 0.757148 0.229779 0.986239 ] [ 0.242852 0.770221 0.013761 ] [ 0.621244 0.924662 0.359726 ] [ 0.378756 0.075338 0.640274 ] [ 0.017891 0.759516 0.565442 ] [ 0.982109 0.240484 0.434558 ] [ 0.756028 0.916962 0.85738 ] [ 0.243972 0.083038 0.14262 ] [ 0.477749 0.605733 0.745942 ] [ 0.522251 0.394267 0.254058 ] ] } "species" { "source-value" [ "Cu" "Cu" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 6.32024054 "source-unit" "angstrom" } "b" { "source-value" 7.92178263 "source-unit" "angstrom" } "c" { "source-value" 8.38389452 "source-unit" "angstrom" } "alpha" { "source-value" 71.1115353 "source-unit" "degree" } "beta" { "source-value" 76.47625097 "source-unit" "degree" } "gamma" { "source-value" 81.97237604 "source-unit" "degree" } }