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=-36.71038229222224 stress="-0.0010183918532655316 -1.8184780284844838e-05 -0.000244812754789362 -1.8184780284844838e-05 -0.001114773406048123 -0.00018121663422217385 -0.000244812754789362 -0.00018121663422217385 -0.0009286472424219188" pbc="F F F" U 21.22094491 21.23171545 21.18190327 -4.18526321 -6.16534298 -5.04065923 U 22.32183498 22.71219253 22.42485375 13.28070532 -6.14983243 0.87654301 U 24.00784030 20.78303052 21.52902295 -0.40973570 -1.39172972 -0.16745536 U 25.56210000 22.63362859 22.32702941 5.83992599 -3.17824846 3.41902122 U 21.07034430 24.04852473 21.05473499 -5.73452942 3.18084153 -6.06774254 U 22.55863470 25.63661615 22.25978927 0.01722068 4.23356604 0.69603723 U 23.98762364 23.79869006 21.11041876 -3.90904074 -0.22343657 -10.22611191 U 25.26735611 25.33533445 22.24148635 4.18652759 5.34064304 3.16456619 U 21.08611608 21.03369179 24.02598936 -4.09334367 -6.13338606 -3.25529439 U 22.22329650 22.46375436 25.40583543 3.76721862 0.17222123 10.43105870 U 23.96506840 20.70178472 24.29874826 -1.30459644 -3.24944595 -1.99051323 U 25.27290972 22.38090187 25.36136659 4.66048037 -0.55947217 3.45802245 U 21.05835534 23.74645637 23.83706282 -12.78715264 9.77969822 5.60097660 U 22.47282579 25.70070203 25.20342959 -1.45361191 2.60056003 1.40544034 U 23.90085166 23.99793547 24.28187239 -0.51594455 -0.53164993 -3.82808646 U 25.42335075 25.33108830 25.47411356 2.64113973 2.27501418 1.52419737