32 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=1139.70671195 stress="-28.280819338212453 2.5188670014194003 -1.141406485229037 2.5188670014194003 -23.26770803148706 -3.6140412055134257 -1.141406485229037 -3.6140412055134257 -30.644243904903345" pbc="F F F" U -0.11090311 0.11115480 0.11044915 -18.13526210 -69.86482663 -76.55433054 U 1.70960170 1.31143450 -0.16166483 -69.36473852 102.65619744 -31.88412251 U 1.28829595 -0.16490224 1.66640352 42.90341432 -61.90086568 -34.05892250 U -0.22187219 1.51878885 1.32834452 -57.53806995 51.41134315 36.82256583 U 2.87679405 -0.04105180 -0.07410960 56.64716582 -137.17881092 -26.46293824 U 4.56504129 1.17241380 -0.13449789 50.74884248 11.61259959 -51.84711124 U 4.19386162 0.22277084 1.68584377 4.95049811 -221.31432163 -252.12981693 U 3.18362810 1.69581920 1.40244725 -137.87758089 -76.94597216 43.58812933 U 0.26959405 3.17626233 -0.14597521 -33.49729220 -63.48882373 -82.95229531 U 1.70996341 4.49207130 0.15300231 -121.70743582 122.70613094 -242.94017248 U 1.24026788 2.95774659 1.71726984 329.36925138 -159.23856709 -319.78085385 U -0.04210664 4.38825682 1.27041603 -88.64065962 108.40584180 25.11822181 U 3.19178619 3.17895518 0.29140871 -134.63211411 -6.45153686 -302.59933808 U 4.61455359 4.53253581 0.14904689 49.93304331 52.67794167 -60.37102067 U 4.28091226 3.10609294 1.46603997 261.57133807 -72.36759402 138.19166026 U 2.57888996 4.32157598 1.51361598 108.09194382 61.26846362 183.98091460 U -0.14801295 -0.02432459 3.06329927 -115.79259740 -63.61815309 -46.02189841 U 1.43745442 1.27846858 2.99451428 68.80167014 90.19058864 -34.62653973 U 1.34126820 -0.15859300 4.31668137 38.46309267 -97.92029844 90.17173118 U -0.08013605 1.24396547 4.59073906 -54.61522156 65.21476030 71.82397488 U 3.27219963 -0.06618674 3.13132919 -127.99762542 -113.77611188 51.34143325 U 4.75978669 1.22592512 2.78504734 201.48295515 231.75828374 185.37403955 U 4.56455903 0.06425382 4.58343331 62.64426728 -31.10375313 52.99604870 U 2.85420938 1.19455091 4.72094491 -7.06825249 55.12874559 49.89889261 U 0.23171545 3.18190327 2.80376929 -348.39978672 32.25325091 318.88393834 U 1.63221118 4.42485375 3.12990665 -11.25403697 121.72922134 -45.29000740 U 1.28220450 3.28278197 4.56210000 156.44410852 -292.71027453 64.03491343 U 0.13362859 4.32702941 4.57034430 -285.57885620 251.21327805 97.21995495 U 3.04852473 3.05473499 3.11631271 -97.57048732 -106.81046309 -145.34663115 U 4.63661615 4.40480033 2.58062463 59.33630882 127.36606180 85.41628019 U 4.29869006 3.11041876 4.26735611 186.98547455 -39.20146897 128.06646677 U 2.83533445 4.24148635 4.58611608 31.29664286 128.29913325 129.93683337