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=-45.49296270000919 stress="0.0008256536477304038 0.00021562480403229277 0.00013932394713396743 0.00021562480403229277 0.0004133266890152124 2.200686833456399e-05 0.00013932394713396743 2.200686833456399e-05 0.0005738749119709254" free_energy=-45.49296270000919 pbc="F F F" C 20.85540510 21.11115480 21.11044915 2.83801099 1.07077320 2.50898455 C 22.70960170 22.31143450 22.33833517 -0.84303462 0.14748862 3.67042032 C 23.78829595 20.83509776 21.14041416 1.18889394 -2.53256608 -1.53577658 C 25.27812781 22.37077590 22.30401993 -6.77440717 -0.46703506 2.24267850 C 20.87679405 23.95894820 21.20259391 3.45941962 1.58901915 2.34534447 C 22.56504129 25.27195870 22.36550211 -0.08643381 -4.43509364 -1.60170619 C 23.78802619 24.22277084 21.12329819 0.13302699 1.77519962 3.80986363 C 25.68362810 25.69581920 22.42531867 -2.50015972 -1.98656335 -0.82845823 C 21.26959405 21.17626233 23.85402479 2.46384060 2.32197986 -3.76354200 C 22.70996341 22.49207130 25.65300231 2.14026718 1.67468240 -2.45120284 C 24.03299744 20.95774659 23.75978977 0.79103542 3.83841620 -1.42215072 C 25.45789336 22.38825682 25.27041603 -3.14817428 -0.30880502 -1.99119669 C 21.19178619 24.17895518 24.29140871 5.63035518 1.13024096 1.60527822 C 22.61455359 25.53253581 25.64904689 -1.96221315 -3.44159690 -3.77257624 C 23.78091226 24.10609294 23.96603997 -1.30343898 1.51891161 4.20444206 C 25.30598025 25.16298298 25.51361598 -2.02698818 -1.89505158 -3.02040228