16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-36.71038229222221 stress="-75.45061562473691 -1.347274001743557 -18.137687376834023 -1.347274001743557 -82.59133210729325 -13.42597799625235 -18.137687376834023 -13.42597799625235 -68.80161689655542" pbc="F F F" U 0.22094491 0.23171545 0.18190327 -4.18526321 -6.16534298 -5.04065923 U 1.32183498 1.71219253 1.42485375 13.28070532 -6.14983243 0.87654301 U 3.00784030 -0.21696948 0.52902295 -0.40973570 -1.39172972 -0.16745536 U 4.56210000 1.63362859 1.32702941 5.83992599 -3.17824846 3.41902122 U 0.07034430 3.04852473 0.05473499 -5.73452942 3.18084153 -6.06774254 U 1.55863470 4.63661615 1.25978927 0.01722068 4.23356604 0.69603723 U 2.98762364 2.79869006 0.11041876 -3.90904074 -0.22343657 -10.22611191 U 4.26735611 4.33533445 1.24148635 4.18652759 5.34064304 3.16456619 U 0.08611608 0.03369179 3.02598936 -4.09334367 -6.13338606 -3.25529439 U 1.22329650 1.46375436 4.40583543 3.76721862 0.17222123 10.43105870 U 2.96506840 -0.29821528 3.29874826 -1.30459644 -3.24944595 -1.99051323 U 4.27290972 1.38090187 4.36136659 4.66048037 -0.55947217 3.45802245 U 0.05835534 2.74645637 2.83706282 -12.78715264 9.77969822 5.60097660 U 1.47282579 4.70070203 4.20342959 -1.45361191 2.60056003 1.40544034 U 2.90085166 2.99793547 3.28187239 -0.51594455 -0.53164993 -3.82808646 U 4.42335075 4.33108830 4.47411356 2.64113973 2.27501418 1.52419737