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=-64.66914287252598 stress="0.0018711272089785918 -0.00016536557355890878 0.00031260875240033775 -0.00016536557355890878 0.002069585897792205 8.183876994925112e-05 0.00031260875240033775 8.183876994925112e-05 0.0017475414466944584" free_energy=-64.66914287252598 pbc="F F F" C 20.85540510 21.11115480 21.11044915 3.34661911 4.90392035 5.88003899 C 22.70960170 22.31143450 20.87202696 5.41768611 -7.49182712 1.21567904 C 22.28829595 20.83509776 22.64041416 -0.75933339 2.49481300 -0.20885723 C 20.80411717 22.51878885 22.32834452 0.96670657 -3.31258667 -3.37899061 C 23.60009055 20.95894820 21.20259391 -8.10689569 8.41448824 1.97132592 C 25.56504129 22.20865944 20.86550211 -0.33020279 -1.45135372 2.66281287 C 25.28802619 21.22277084 22.68584377 -3.24733752 10.15058757 8.49958614 C 24.18362810 22.69581920 22.64685009 5.95140785 8.36368025 2.35813506 C 21.26959405 24.17626233 20.85402479 4.10578897 5.50852036 8.42673995 C 22.67371777 25.49207130 21.15300231 -0.32347707 -8.55919019 4.77713579 C 22.44431859 23.95774659 22.41852158 -2.03173276 4.85440061 -3.12875692 C 20.95789336 25.38825682 22.27041603 3.96713582 -6.38726487 -1.74662940 C 23.94738334 24.17895518 21.29140871 -2.00705080 2.92269882 9.75414119 C 25.61455359 25.53253581 21.14904689 -1.19095652 -4.98218406 2.26991869 C 25.28091226 24.10609294 22.16782470 -7.86355742 3.73365403 -2.22990568 C 23.80598025 25.32157598 22.81236424 7.16894136 -8.49482928 -8.52823361 C 20.85198705 20.97567541 24.06329927 7.95497142 4.88798800 3.53234187 C 22.21036414 22.27846858 23.87541615 -5.39470305 -6.21960878 -3.63995558 C 22.34126820 20.84140700 25.31668137 -4.61981007 5.47955936 -2.80882250 C 20.91986395 22.24396547 25.59073906 2.53934849 -4.93070227 -3.64403867 C 24.27219963 20.93381326 23.99269579 6.88070349 1.04311557 -1.96541651 C 25.75978669 22.22592512 23.78504734 -5.87117470 -9.57886056 -5.02152445 C 25.68365717 21.20288723 25.58343331 -3.23371309 2.73497928 -4.51117672 C 23.85420938 22.44809454 25.72094491 1.79958903 -2.01592028 -0.31164481 C 21.23171545 24.18190327 23.82183498 9.72993383 6.13107177 -2.86279419 C 22.71219253 25.42485375 23.87636302 -4.37492661 -10.32946287 9.36653103 C 22.28220450 24.28278197 25.56210000 -11.63214160 18.23250950 -3.47373161 C 21.13362859 25.32702941 25.55227861 13.59093946 -14.71656456 0.17344065 C 24.04852473 24.05473499 23.91561068 2.67493231 5.98481405 -2.93004055 C 25.63661615 25.40480033 23.79721369 -3.65869728 -6.21127483 -0.04567543 C 25.29869006 24.11041876 25.26735611 -8.21941476 5.88762016 -6.14815734 C 23.83533445 25.24148635 25.58611608 -3.22957868 -7.04679086 -4.30347538