{ "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" [ [ 1 0.5 0 ] [ 0.056639 0.678606 0.653811 ] [ 0.5 0.5 0.5 ] [ 0.943361 0.321394 0.346189 ] [ 0 0 0.5 ] [ 0.517644 0.855221 0.827567 ] [ 0.482356 0.144779 0.172433 ] [ 0.866351 0.203238 0.671902 ] [ 0.508628 0.364037 0.809173 ] [ 0.133649 0.796762 0.328098 ] [ 0.491372 0.635963 0.190827 ] [ 0.344784 0.157537 0.383251 ] [ 0.936886 0.302736 0.164805 ] [ 0.132842 0.674605 0.459224 ] [ 0.420022 0.367961 0.942374 ] [ 0.655216 0.842463 0.616749 ] [ 0.579978 0.632039 0.057626 ] [ 0.39594 0.486213 0.690974 ] [ 0.992046 0.051325 0.684439 ] [ 0.30498 0.773954 0.204524 ] [ 0.007954 0.948675 0.315561 ] [ 0.063114 0.697264 0.835195 ] [ 0.69502 0.226046 0.795476 ] [ 0.867158 0.325395 0.540776 ] [ 0.60406 0.513787 0.309026 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Bi" "Bi" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "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" 3.62113159923 "source-unit" "angstrom" } "b" { "source-value" 9.26261248924 "source-unit" "angstrom" } "c" { "source-value" 10.2385653592 "source-unit" "angstrom" } "alpha" { "source-value" 67.346117161 "source-unit" "degree" } "beta" { "source-value" 81.6947588257 "source-unit" "degree" } "gamma" { "source-value" 82.5333467059 "source-unit" "degree" } }