{ "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" [ [ 0.237672 0.443599 0.915609 ] [ 0.622114 0.808672 0.940413 ] [ 0.458511 0.864526 0.641181 ] [ 0.21243 0.459465 0.664457 ] [ 0.336963 0.95479 0.867123 ] [ 0.954068 0.656457 0.857324 ] [ 0.270109 0.730201 0.428273 ] [ 0.071123 0.938703 0.267614 ] [ 0.527635 0.342518 0.776436 ] [ 0.772104 0.230745 0.935586 ] [ 0.28596 0.106898 0.571637 ] [ 0.735887 0.937325 0.424991 ] [ 0.935388 0.74703 0.544875 ] [ 0.093679 0.298488 0.402618 ] [ 0.267139 0.757801 0.083944 ] [ 0.405212 0.526063 0.248581 ] [ 0.76238 0.309304 0.556105 ] [ 0.950355 0.095241 0.720795 ] [ 0.999157 0.361307 0.149008 ] [ 0.678128 0.96849 0.184812 ] [ 0.844312 0.528255 0.33163 ] [ 0.453762 0.223696 0.350479 ] [ 0.668666 0.694097 0.709425 ] [ 0.786545 0.616661 0.089853 ] [ 0.456507 0.214349 0.096501 ] [ 0.567202 0.561542 0.468207 ] [ 0.997743 0.714501 0.00305 ] [ 0.001354 0.363688 0.993956 ] [ 0.052016 0.971593 0.647469 ] [ 0.300542 0.682193 0.946767 ] [ 0.542304 0.917151 0.833642 ] [ 0.097463 0.44521 0.800463 ] [ 0.460633 0.523722 0.825601 ] [ 0.202776 0.824907 0.551637 ] [ 0.815402 0.803699 0.839425 ] [ 0.373475 0.976742 0.010727 ] [ 0.726267 0.934811 0.654714 ] [ 0.44163 0.19915 0.886581 ] [ 0.751152 0.459154 0.873497 ] [ 0.242113 0.050214 0.391644 ] [ 0.28851 0.279812 0.692676 ] [ 0.499364 0.882701 0.498918 ] [ 0.754957 0.02499 0.007183 ] [ 0.560411 0.57997 0.562092 ] [ 0.201888 0.52572 0.500266 ] [ 0.040502 0.441184 0.311466 ] [ 0.860583 0.633399 0.674118 ] [ 0.438157 0.070917 0.677457 ] [ 0.575051 0.879104 0.313435 ] [ 0.69648 0.659292 0.421369 ] [ 0.524909 0.219685 0.49908 ] [ 0.883321 0.510718 0.483617 ] [ 0.257828 0.287193 0.27137 ] [ 0.238395 0.503335 0.12735 ] [ 0.508625 0.771822 0.111939 ] [ 0.998187 0.267572 0.620634 ] [ 0.017866 0.753326 0.362995 ] [ 0.833808 0.810697 0.186229 ] [ 0.567615 0.446526 0.189153 ] [ 0.819432 0.199715 0.440362 ] [ 0.448613 0.449695 0.413076 ] [ 0.485138 0.079408 0.198019 ] [ 0.942205 0.559783 0.17516 ] [ 0.936301 0.052363 0.322446 ] [ 0.698876 0.303016 0.06044 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.31736789 "source-unit" "angstrom" } "b" { "source-value" 9.60600464 "source-unit" "angstrom" } "c" { "source-value" 14.61983268 "source-unit" "angstrom" } "alpha" { "source-value" 93.06054639 "source-unit" "degree" } "beta" { "source-value" 90.43215664 "source-unit" "degree" } "gamma" { "source-value" 113.52584657 "source-unit" "degree" } }