{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.872651 0.718011 0.722082 ] [ 0.137756 0.27257 0.284692 ] [ 0.650991 0.181542 0.416526 ] [ 0.222462 0.821849 0.191273 ] [ 0.221111 0.191772 0.821718 ] [ 0.774704 0.176627 0.811154 ] [ 0.77226 0.807024 0.167928 ] [ 0.653886 0.413986 0.178616 ] [ 0.345313 0.586574 0.82236 ] [ 0.347006 0.824187 0.587215 ] [ 0.991319 0.146128 0.865888 ] [ 0.984029 0.846741 0.131984 ] [ 0.767368 0.308537 0.031597 ] [ 0.775355 0.02496 0.308313 ] [ 0.729303 0.387524 0.37429 ] [ 0.75127 0.285509 0.677314 ] [ 0.743004 0.658043 0.266238 ] [ 0.388129 0.071015 0.31388 ] [ 0.408577 0.31894 0.066299 ] [ 0.591951 0.689157 0.944355 ] [ 0.594836 0.949976 0.693383 ] [ 0.259252 0.343051 0.708874 ] [ 0.261857 0.709993 0.345012 ] [ 0.306284 0.631173 0.631004 ] [ 0.224286 0.957423 0.680127 ] [ 0.225037 0.677687 0.957879 ] ] } "species" { "source-value" [ "K" "Ba" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "O" "O" "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" 7.30687269 "source-unit" "angstrom" } "b" { "source-value" 7.86049294 "source-unit" "angstrom" } "c" { "source-value" 7.9116626 "source-unit" "angstrom" } "alpha" { "source-value" 113.51408297 "source-unit" "degree" } "beta" { "source-value" 103.8765218 "source-unit" "degree" } "gamma" { "source-value" 103.65905019 "source-unit" "degree" } }