{ "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" [ [ 0.046442 0.571884 0.803547 ] [ 0.170712 0.356344 0.003209 ] [ 0.229957 0.04179 0.797528 ] [ 0.031231 0.848436 0.402591 ] [ 0.356558 0.830508 0.00128 ] [ 0.154595 0.629929 0.600625 ] [ 0.443484 0.968554 0.596685 ] [ 0.644714 0.165868 0.994828 ] [ 0.245606 0.769835 0.201533 ] [ 0.367353 0.553474 0.401988 ] [ 0.568043 0.750721 0.795275 ] [ 0.428428 0.243772 0.195388 ] [ 0.831417 0.642964 0.004304 ] [ 0.632496 0.447071 0.605932 ] [ 0.554714 0.028821 0.396912 ] [ 0.753622 0.22692 0.79219 ] [ 0.843938 0.373278 0.409042 ] [ 0.967081 0.154416 0.598566 ] [ 0.768527 0.958142 0.196758 ] [ 0.950311 0.431302 0.200703 ] [ 0.413422 0.408374 0.822257 ] [ 0.192672 0.192548 0.378587 ] [ 0.981903 0.984427 0.961528 ] [ 0.614642 0.616423 0.237295 ] [ 0.149467 0.805033 0.99421 ] [ 0.162205 0.540312 0.993235 ] [ 0.184601 0.143239 0.988449 ] [ 0.002155 0.044167 0.390453 ] [ 0.209186 0.254068 0.812838 ] [ 0.234745 0.856388 0.793033 ] [ 0.042866 0.664179 0.40937 ] [ 0.048435 0.396298 0.403046 ] [ 0.24982 0.59359 0.799022 ] [ 0.256147 0.968972 0.59955 ] [ 0.450609 0.156788 0.990921 ] [ 0.052144 0.762444 0.201526 ] [ 0.138125 0.43028 0.186337 ] [ 0.341576 0.637526 0.607728 ] [ 0.547534 0.835083 0.996273 ] [ 0.349521 0.010248 0.401858 ] [ 0.550331 0.206835 0.79419 ] [ 0.365522 0.749652 0.411266 ] [ 0.556076 0.937787 0.787816 ] [ 0.597127 0.554199 0.81345 ] [ 0.392135 0.348447 0.396195 ] [ 0.404224 0.447399 0.194124 ] [ 0.601953 0.647315 0.614237 ] [ 0.802731 0.84483 0.99749 ] [ 0.440198 0.056348 0.207248 ] [ 0.828747 0.455579 0.993634 ] [ 0.638643 0.253383 0.597613 ] [ 0.636333 0.003328 0.592595 ] [ 0.453885 0.79424 0.209636 ] [ 0.84457 0.189745 0.991149 ] [ 0.863463 0.568623 0.811707 ] [ 0.661911 0.364545 0.400792 ] [ 0.740258 0.032278 0.392888 ] [ 0.94131 0.241213 0.807067 ] [ 0.963008 0.597799 0.607685 ] [ 0.752564 0.405204 0.20504 ] [ 0.964989 0.348205 0.604717 ] [ 0.768272 0.14363 0.206663 ] [ 0.005708 0.960035 0.597479 ] [ 0.797512 0.754924 0.20464 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Bi" "Bi" "Bi" "Bi" "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" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.07838366 "source-unit" "angstrom" } "b" { "source-value" 10.08547374 "source-unit" "angstrom" } "c" { "source-value" 10.35878832 "source-unit" "angstrom" } "alpha" { "source-value" 119.08758619 "source-unit" "degree" } "beta" { "source-value" 118.86412249 "source-unit" "degree" } "gamma" { "source-value" 90.0487513 "source-unit" "degree" } }