{ "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" [ [ 0.450789 0.254465 0.709388 ] [ 0.549211 0.745535 0.290612 ] [ 0.700572 0.691607 0.513912 ] [ 0.203405 0.456045 0.19349 ] [ 0.796595 0.543955 0.80651 ] [ 0.93916 0.011359 0.381545 ] [ 0.940857 0.284758 0.220876 ] [ 0.9577 0.256343 0.71407 ] [ 0.609926 0.990203 0.072362 ] [ 0.390074 0.009797 0.927638 ] [ 0.593873 0.978594 0.591047 ] [ 0.299428 0.308393 0.486088 ] [ 0.375959 0.54684 0.809366 ] [ 0.410163 0.718946 0.070556 ] [ 0.06084 0.988641 0.618455 ] [ 0.624041 0.45316 0.190634 ] [ 0.059143 0.715242 0.779124 ] [ 0.406127 0.021406 0.408953 ] [ 0 0.5 0 ] [ 0.589837 0.281054 0.929444 ] [ 0.0423 0.743657 0.28593 ] [ 0 0 0 ] [ 0.707311 0.144741 0.204902 ] [ 0.122128 0.242655 0.888193 ] [ 0.292689 0.855259 0.795098 ] [ 0.628198 0.447382 0.459993 ] [ 0.208589 0.78557 0.452555 ] [ 0.791411 0.21443 0.547445 ] [ 0.066199 0.550644 0.537831 ] [ 0.263923 0.152785 0.206919 ] [ 0.736077 0.847215 0.793081 ] [ 0.371802 0.552618 0.540007 ] [ 0.877872 0.757345 0.111807 ] [ 0.933801 0.449356 0.462169 ] [ 0.634989 0.229512 0.419917 ] [ 0.154593 0.721584 0.000657 ] [ 0.45643 0.252588 0.214105 ] [ 0.27348 0.9275 0.237829 ] [ 0.693063 0.410392 0.654694 ] [ 0.266343 0.283704 0.997666 ] [ 0.306937 0.589608 0.345306 ] [ 0.365011 0.770488 0.580083 ] [ 0.06667 0.2291 0.424977 ] [ 0.156725 0.449262 0.720942 ] [ 0.72652 0.0725 0.762171 ] [ 0.843275 0.550738 0.279058 ] [ 0.93333 0.7709 0.575023 ] [ 0.758065 0.917974 0.272887 ] [ 0.54357 0.747412 0.785895 ] [ 0.241935 0.082026 0.727113 ] [ 0.845407 0.278416 0.999343 ] [ 0.733657 0.716296 0.002334 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.28648222 "source-unit" "angstrom" } "b" { "source-value" 13.56656553 "source-unit" "angstrom" } "c" { "source-value" 13.95565674 "source-unit" "angstrom" } "alpha" { "source-value" 76.8505525 "source-unit" "degree" } "beta" { "source-value" 63.95105353 "source-unit" "degree" } "gamma" { "source-value" 76.24301211 "source-unit" "degree" } }