{ "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" [ [ 0.332194 0.278102 0.126602 ] [ 0.667806 0.721898 0.873398 ] [ 0.960837 0.250058 0.53551 ] [ 0.039163 0.749942 0.46449 ] [ 0.812411 0.208367 0.707044 ] [ 0.187589 0.791633 0.292956 ] [ 0.843518 0.172888 0.324359 ] [ 0.156482 0.827112 0.675641 ] [ 0.18152 0.359404 0.626079 ] [ 0.81848 0.640596 0.373921 ] [ 0.717923 0.581573 0.472543 ] [ 0.721404 0.596592 0.186211 ] [ 0.359773 0.915477 0.736903 ] [ 0.640227 0.084523 0.263097 ] [ 0.282077 0.418427 0.527457 ] [ 0.935112 0.18343 0.195252 ] [ 0.278596 0.403408 0.813789 ] [ 0.064888 0.81657 0.804748 ] ] } "species" { "source-value" [ "K" "K" "C" "C" "Br" "Br" "N" "N" "N" "N" "O" "O" "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" 6.45918556605 "source-unit" "angstrom" } "b" { "source-value" 7.59838049469 "source-unit" "angstrom" } "c" { "source-value" 7.47057927037 "source-unit" "angstrom" } "alpha" { "source-value" 116.147585381 "source-unit" "degree" } "beta" { "source-value" 103.07832788 "source-unit" "degree" } "gamma" { "source-value" 97.4601184777 "source-unit" "degree" } }