16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=11873.062050270139 stress="-0.00302477717224168 0.0007712213542387386 -8.005899253965544e-05 0.0007712213542387386 -0.0026787260083359497 0.00029656381445398924 -8.005899253965544e-05 0.00029656381445398924 -0.003689579527769588" free_energy=11873.062050270139 pbc="F F F" Cu 20.83424595 21.16275908 20.76682921 -5.18318249 -6.91488607 -4.30100542 C 22.43858073 22.25205420 22.65488783 -18.42318239 35.35256237 -44.58561996 C 24.13224682 20.90625082 21.40285678 6.70049566 1.38108581 -10.04946938 C 25.31425730 22.48844065 22.30199893 23.08339200 -30.67908449 8.98067049 C 20.92003010 24.06111480 20.98113426 -0.43497124 3.84315452 -2.10620427 C 22.28219307 25.71813893 22.14686846 -2.63689443 5.29725966 -2.65593816 Cu 24.19410236 23.83096497 20.88201197 -14.39805386 23.64867785 -26.85809010 Cu 25.71012120 25.22002482 22.15567545 0.68650659 6.18494940 1.92988577 Cu 20.91661558 20.96512192 23.97799639 -17.53746047 -11.11233104 7.10691652 C 22.79391194 22.22614529 25.52103145 -19.30072110 19.51334269 45.16881315 Cu 23.77761356 21.18220204 23.89362841 33.85273837 -60.12515188 12.54297531 C 25.73573857 22.25849284 24.99362501 16.27821947 3.27150394 8.86080519 Cu 20.70296332 23.98503383 23.98512552 -9.69352454 -5.73028323 1.99572932 C 22.41953184 25.48735431 25.42299150 -9.42651897 16.02917257 16.43784963 Cu 23.90698366 24.18107110 24.04805849 16.40737455 0.78828153 -11.44761694 Cu 25.58563421 25.67323186 25.63546615 0.02578285 -0.74825362 -1.01970115