32 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=52.89814238554055 stress="-0.004379278732461153 0.00012932448927368016 6.018650962771591e-05 0.00012932448927368016 -0.003451354010209174 -0.000404357766206041 6.018650962771591e-05 -0.000404357766206041 -0.003849015194485794" free_energy=52.89814238554055 pbc="F F F" O 20.85540510 21.11115480 21.11044915 -11.07072473 -9.63204779 -7.86510022 O 22.70960170 22.31143450 20.83833517 10.30316648 19.09997151 -5.07667444 O 22.32198775 20.83509776 22.64041416 5.70108834 -10.64601040 4.50465844 O 20.77812781 22.51878885 22.32834452 -6.13196390 12.90283386 10.90726457 O 23.90278341 20.95894820 20.92589040 4.90277118 -7.87134296 -0.58418672 O 25.56504129 22.17241380 20.86550211 4.72363850 -1.17653040 -6.02909785 O 25.28802619 21.22277084 22.68584377 2.88824560 -15.63083900 -12.63892414 O 24.18362810 22.69581920 22.55268552 -26.35139186 -16.76609856 1.15389016 O 21.02519121 23.87804706 20.85402479 -4.36501491 -4.41047844 -7.90214352 O 22.70996341 25.49207130 21.15300231 -6.44876633 9.06069578 -17.37688039 O 22.53848316 23.95774659 22.41852158 7.95015393 -19.19841194 8.99351913 O 20.95789336 25.38825682 22.27041603 -7.79627802 5.48046442 4.60490347 O 24.19178619 24.17895518 21.29140871 -18.23771904 -12.75799949 -32.97484349 O 25.61455359 25.30544553 21.02994876 11.79546219 6.24497092 -6.27475879 O 25.28091226 23.96745953 22.46603997 39.60726326 -8.05210395 1.66741175 O 23.86433559 25.32157598 22.51361598 -5.46253173 27.56649711 15.23323296 O 20.83392136 20.89569406 24.26400130 -19.12501224 -14.86314594 -13.76480708 O 22.43745442 22.27846858 23.99451428 14.30775862 19.77682535 -18.72619687 O 22.34126820 20.84140700 25.31668137 18.32888680 -8.82593193 4.15094710 O 20.91986395 21.94739505 25.59073906 -14.78709897 18.45634480 21.06572363 O 24.17305129 20.93381326 24.12926466 -2.23964807 -12.39613830 -2.90865785 O 25.75978669 22.22592512 23.78504734 5.20059454 13.84096526 4.44612301 O 25.68365717 21.48475961 25.58343331 8.72371580 -2.45946536 8.37230432 O 23.79585403 22.44809454 25.72094491 -8.35451557 2.03400029 5.96912542 O 21.23171545 24.18190327 23.83184690 -7.47251700 -9.93035704 -0.24014673 O 22.71219253 25.42485375 24.12990665 -3.50410160 14.88368463 -11.66976340 O 22.26673789 24.28278197 25.56210000 -3.50587316 -23.45782835 9.31961938 O 21.13362859 25.32702941 25.67204550 -14.00071088 11.64176877 1.98762118 O 24.04852473 24.05473499 23.79354433 -10.62193155 -7.95830623 18.88308141 O 25.63661615 25.40480033 23.59623890 12.16000970 19.28154613 1.36995661 O 25.29869006 24.11041876 25.26735611 14.35299173 -7.56194242 10.43728331 O 23.83533445 25.24148635 25.58611608 8.53005290 13.32440968 10.96551563