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=-9.410641020756323 stress="-0.0002476472863601339 9.412921826698234e-06 2.643699316329501e-05 9.412921826698234e-06 0.00012483886816524412 -8.064187753155482e-05 2.643699316329501e-05 -8.064187753155482e-05 -6.999669429541741e-05" free_energy=-9.410641020756323 pbc="F F F" O 21.15019543 21.13350600 21.14618898 2.58653274 2.96226370 4.89043296 O 22.73454065 22.53480345 20.83485360 1.37785783 -3.16643328 0.41864862 O 22.31305510 20.91566791 22.46070040 -2.98982904 -1.17322434 0.19183212 O 20.99928290 22.58695526 22.22557373 -1.37198889 -0.62270023 -4.54443309 O 23.79507202 21.14408857 20.94614300 -0.56431608 3.19754986 0.03890586 O 25.47313146 22.29590009 21.16265408 -0.98175857 -3.14403856 1.09795971 O 25.42420560 21.04052745 22.23417086 -0.53341810 1.48469995 -1.51848858 O 23.78278591 22.68168807 22.64109445 0.44592248 -3.14773972 -1.46040673 O 21.14099845 23.95376057 20.72340307 0.05113874 -1.16096628 2.64916413 O 22.80898792 25.32628927 21.26628958 0.23032583 -0.10111529 -2.35678743 O 22.56717778 23.94125040 22.72475079 -6.54563114 -3.81245820 -1.34107606 O 20.75767445 25.60602601 22.11699941 0.02194910 -0.37845290 -1.21467079 O 24.30426948 24.23617184 21.02973741 3.05955714 2.73928346 -2.16440310 O 25.46179522 25.67623526 21.05316002 -0.96692928 -2.01952814 -1.74666053 O 25.23594820 24.13211188 22.58352372 3.69005938 -3.04590710 -1.62841191 O 23.84376228 25.26820562 22.45203735 -1.08773922 12.08112245 -5.94519085 O 21.26111147 21.06699257 23.97927008 2.42036322 0.94424532 -2.36727456 O 22.22147108 22.66185225 23.82128623 -4.69812653 -0.23323657 1.35547083 O 22.63856038 20.99965461 25.77820060 1.81963667 2.17713293 -0.18621821 O 20.90383416 22.53888244 25.41519159 -0.49796858 0.73379458 -1.45300352 O 23.93760032 21.03922890 23.84214694 0.58889022 2.34479203 -0.59378143 O 25.61719846 22.51917285 24.09967038 0.27256476 -2.03438514 2.40394199 O 25.49640474 21.06224969 25.58361915 -1.16118293 2.81662650 -1.75023492 O 23.74624953 22.26986142 25.55127655 -0.93892941 -4.26450034 -0.28712733 O 20.81091173 24.01619234 23.90628709 0.43126116 -2.13478185 2.00331362 O 22.53790681 25.23395044 23.95586175 -4.83282944 1.03542774 4.98529523 O 22.57493195 24.13169046 25.53853477 1.43743255 2.92790484 -0.75769097 O 21.14802999 25.77787646 25.41438246 0.11903981 -0.44795014 0.14431797 O 24.07730756 24.08177926 23.80522007 6.75705108 -4.37187624 7.31492265 O 25.28391760 25.32420357 24.01400128 2.62243098 -0.35697348 7.38207667 O 25.57619718 24.26883174 25.54311643 0.14911908 2.19008050 -3.00957565 O 23.74650446 25.63311255 25.41436282 -0.91048556 -2.01865606 -0.55084669