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=53400.30394509138 stress="-3.074766358940323 -0.26063030337489157 0.43051138139768347 -0.26063030337489157 -2.9616435467064623 0.22710955996477583 0.43051138139768347 0.22710955996477583 -2.843884442165396" free_energy=53400.30394509138 pbc="F F F" Am 21.28148913 21.05210001 20.96864501 -3405.67782498 -3526.88963937 -7536.42918048 Am 22.76147517 22.50736779 21.00505582 -6636.76675467 -5171.72921756 -2141.34411918 Am 22.23594820 21.17858111 22.58352372 21323.54907933 -11583.80654422 -21293.12741215 Am 20.84376228 22.26820562 22.45203735 -13018.88502233 14765.00423647 -6170.75428992 Am 24.26111147 21.22232616 21.21866036 -4400.29539044 -11162.09460911 159.58850660 Am 25.22147108 22.69736496 20.86294590 8084.34442543 6667.79032965 -2852.44964241 Am 25.61903583 21.12841842 22.75813718 3567.44049759 -2192.76701109 -1287.68345491 Am 23.78858747 22.67621204 22.76201747 4465.54092951 1169.95106967 -7388.86791747 Am 20.98514284 23.94311928 21.01913011 -732.40930684 -324.06630464 -1819.47969538 Am 22.61719846 25.68373033 21.09967038 -2068.96857273 3170.64644229 -2298.84189928 Am 22.72897922 24.22064865 22.56383955 -6028.69415494 1550.29462699 -4091.91641551 Am 20.98058377 25.26986142 22.63236414 -4108.50598398 11308.09936922 -8474.65916288 Am 23.73944939 24.01619234 20.80772007 5053.09792495 7938.36953213 -3663.15058409 Am 25.59510415 25.50422671 20.76078135 579.37738678 200.47014768 -516.04003685 Am 25.57493195 23.87627973 22.73295849 3147.21889497 2495.36367932 -3233.50009513 Am 24.15627539 25.66851855 22.47285239 788.75835622 2555.55485567 -2435.27973298 Am 21.07730756 21.08177926 23.80522007 -25477.59039085 -17818.12949499 22518.98528276 Am 22.28391760 22.34426700 24.01400128 7484.86498135 13693.58784039 4616.56579939 Am 22.62273201 21.17344066 25.54311643 380.19910136 -3661.00896563 3534.33021484 Am 21.03125768 22.61652720 25.61733072 -6584.46878248 -2572.21768776 2655.94535036 Am 23.75762396 21.07094765 23.59006301 6534.91845542 -11589.92637910 8378.22487008 Am 25.38529253 22.53806003 24.15075815 12117.01908706 -8012.44683160 -11539.35683278 Am 25.09017619 20.96545771 25.34107598 1579.35290644 -4661.23953248 2215.13799927 Am 24.10260142 22.68947213 25.35847550 -18051.47512987 -17717.73840501 12086.32934987 Am 21.13185401 23.97839446 23.83058461 -3706.07342272 -9369.00729022 8097.98372086 Am 22.36537308 25.52278034 24.18407183 11036.11174112 4035.39500313 -8131.85868953 Am 22.56109240 23.70032005 25.44215337 -1734.69458469 7992.49944238 3956.42866083 Am 21.04810421 25.52375698 25.34466640 -11042.31782758 882.70319108 10195.53222598 Am 23.96448728 24.11524669 23.96804141 -4084.83826049 2764.24969530 -295.56887899 Am 24.98944966 25.72725014 24.23293006 13434.55911679 6579.48113631 -9290.82759308 Am 25.24236599 23.94690000 25.26566576 20830.32648191 21229.26909608 11823.76946517 Am 23.91891241 25.57146234 25.59856702 -9325.01795664 364.33821904 14222.31418698