64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-42.584752503489675 stress="8.145598977122811e-05 8.701506670603307e-06 1.6935238172761256e-06 8.701506670603307e-06 3.306934418772115e-05 9.66473470653224e-05 1.6935238172761256e-06 9.66473470653224e-05 7.308729682502879e-05" free_energy=-42.584752503489675 pbc="F F F" Be 35.22086729 34.98310996 34.77096654 -0.07380843 -0.05829089 -0.07080181 Be 36.59933616 35.93572417 35.98055861 -1.43835684 -3.94385546 2.69228498 Be 37.14715992 37.22516294 35.23402360 -0.19635962 1.44179029 -4.17768330 Be 37.93229823 38.31172061 36.19084223 -0.05439823 5.55363132 2.10042586 Be 36.90181109 35.14771729 38.20399864 1.01587061 1.89047999 2.12275374 Be 39.35802973 36.07349581 38.45018589 -1.55425985 0.07006932 -2.02715147 Be 34.64671032 37.87128473 37.80973961 2.78300943 3.84026379 4.86289085 Be 36.55604684 39.07636534 38.99475015 -5.50224064 8.32463108 -7.96849426 Be 40.57145570 35.62693260 34.97272797 0.28089670 0.26446922 0.05944267 Be 41.59993901 36.02721648 36.76701063 -0.03741943 -0.57767116 0.69658238 Be 42.17355270 37.23803765 35.36034353 -0.23229164 0.07775354 -0.66409851 Be 43.65105045 38.56376137 35.86736005 0.09725156 0.19469301 0.08759216 Be 42.81964364 35.06601975 38.27050804 -2.63024810 -2.56693955 -0.66513114 Be 43.94092265 36.25441176 38.50208346 2.17284795 2.88403093 0.87274800 Be 39.16411852 37.67682157 37.20242380 4.21263028 1.10048828 3.88131954 Be 40.75858622 38.88988228 38.77269330 -4.71111058 0.98985025 -2.57645097 Be 35.10340100 40.31298788 35.02164361 -1.70342989 -1.07271378 -2.07306301 Be 36.14575737 40.88078096 36.24085714 1.51283687 4.08277818 4.14396277 Be 37.23544699 42.23567833 34.69446895 1.51716300 1.22711514 2.44375688 Be 38.61643991 43.32327578 36.40123177 -8.01267060 2.36259365 -6.62158223 Be 37.95366604 40.38293330 37.71888199 -7.48751690 -3.06343975 -2.96643368 Be 39.18297782 40.79320854 38.39174556 8.81213245 -0.06281778 3.97002094 Be 35.56793627 42.83814538 37.63905551 0.34214191 -3.94770759 -4.09701914 Be 35.90975672 43.66349090 39.11824152 0.57468450 0.52114224 2.50756490 Be 40.37023999 40.06462543 35.10510663 -0.00086229 0.03611383 0.02246076 Be 41.60365422 41.12475624 36.46651109 -6.69699068 6.79513065 -1.54034682 Be 42.17369572 42.66520909 34.97907069 0.25889366 -0.02293129 0.51191197 Be 43.94881891 43.15243413 36.44017667 -0.39606437 -0.10510791 -0.33109265 Be 42.58087455 40.09122498 36.89354330 4.61266683 -4.79358725 2.10657271 Be 43.65640911 40.69421168 38.63419514 -0.04007762 -0.06123096 -0.07225587 Be 39.66448343 42.68403127 37.11226018 8.69276160 -5.94193535 4.18568375 Be 40.97555741 43.12641848 38.89352680 -3.49673942 0.69816350 -2.22227785 Be 35.44133113 35.04024929 39.56021542 -1.35547486 -1.11398808 -0.63202712 Be 36.52411295 36.09305905 40.55696254 1.53397359 -0.13135545 -1.79210672 Be 37.00297454 37.99791377 39.62151619 3.81894549 -7.67182145 8.48555258 Be 38.79684991 38.51894432 41.34725891 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36.14675867 41.45349066 40.58237781 -2.66939684 -1.58537349 -0.39812348 Be 37.82350393 41.76910162 39.80335328 3.27781197 -3.33518409 -2.19390862 Be 38.63834321 43.48397520 40.87827378 2.20262265 -1.90901711 1.53297883 Be 37.36102597 39.94186987 42.87644269 4.68224950 0.27682262 -3.00109859 Be 39.16704070 41.20764080 43.78505241 -0.25714395 -0.07784509 -0.50534998 Be 34.62935593 42.80367007 42.32271401 3.69803590 1.51659492 1.56565217 Be 36.64289762 43.79540286 43.37563583 -3.47762642 -1.71283111 -1.81850986 Be 39.50493887 39.98866603 40.36805486 -1.56098789 2.36753832 -1.65212322 Be 40.89974943 41.22892384 41.12165250 4.46197774 -2.83988556 -7.67560991 Be 42.34497277 42.80178516 39.71375535 3.09005472 -1.00149263 5.58108113 Be 43.56876617 44.00729716 41.44254376 -1.43239454 -1.48900386 -2.08078113 Be 42.15342438 40.42044581 42.44053329 -0.10460378 0.27494137 -0.41746683 Be 43.91980052 40.92706063 43.97076095 -0.64392304 -0.19172878 -0.57658317 Be 40.39757659 42.11536967 42.13716159 -3.44246583 4.83234085 4.87984540 Be 41.59856987 44.06168698 43.85549530 0.00000000 0.00000000 0.00000000