{ "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" [ [ 0.520624 0.011851 0.019419 ] [ 0.016813 0.508427 0.019324 ] [ 0.705137 0.616404 0.668711 ] [ 0.018465 0.011239 0.982356 ] [ 0.240549 0.143671 0.673408 ] [ 0.778857 0.388517 0.338192 ] [ 0.283282 0.886731 0.329864 ] [ 0.748881 0.108367 0.664461 ] [ 0.227017 0.608198 0.67608 ] [ 0.774005 0.886036 0.32789 ] [ 0.524316 0.497732 0.995084 ] [ 0.273384 0.380193 0.331586 ] [ 0.603992 0.553883 0.323022 ] [ 0.798283 0.62625 0.895304 ] [ 0.107361 0.045286 0.347839 ] [ 0.332542 0.167585 0.902851 ] [ 0.70947 0.361331 0.114488 ] [ 0.633464 0.31762 0.589866 ] [ 0.209864 0.864884 0.111283 ] [ 0.812304 0.167951 0.889868 ] [ 0.607762 0.062971 0.302748 ] [ 0.111355 0.55624 0.303176 ] [ 0.296619 0.669999 0.896204 ] [ 0.495644 0.773319 0.594207 ] [ 0.721376 0.858374 0.10999 ] [ 0.957877 0.955563 0.737064 ] [ 0.049918 0.283134 0.587556 ] [ 0.19542 0.325838 0.112053 ] [ 0.415416 0.462405 0.739105 ] ] } "species" { "source-value" [ "Ca" "Ca" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "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" 7.76493079 "source-unit" "angstrom" } "b" { "source-value" 7.88316195 "source-unit" "angstrom" } "c" { "source-value" 9.78749546 "source-unit" "angstrom" } "alpha" { "source-value" 89.99443132 "source-unit" "degree" } "beta" { "source-value" 100.90163909 "source-unit" "degree" } "gamma" { "source-value" 117.86311995 "source-unit" "degree" } }