32
Lattice="90.06593322753906 0.0 0.0 0.0 90.06593322753906 0.0 0.0 0.0 90.06593322753906" Properties=species:S:1:pos:R:3:forces:R:3 energy=-17.961334894314206 stress="-3.052735757077723e-05 4.4780510889684375e-07 -1.1701578864611952e-06 4.4780510889684375e-07 -3.015254261426118e-05 -1.260733839870988e-06 -1.1701578864611952e-06 -1.260733839870988e-06 -3.151478924147664e-05" free_energy=-17.961334894314206 pbc="F F F"
Ba      44.91247086      45.12559561      45.12500757      -0.15883759      -0.23176510      -0.26090145
Ba      48.45235166      48.09246917      44.89824592      -0.10096785       0.42616652      -0.23409788
Ba      48.07318705      44.89554808      48.38827668       0.26724107      -0.27328129       0.15472496
Ba      44.84807313      48.26526446      48.10656085      -0.28311230       0.16428186       0.19693426
Ba      51.13298968      44.99875678      45.20179487       0.21124853      -0.45590479      -0.21754244
Ba      54.73708910      48.00682328      44.92088504       0.18235859       0.17292024      -0.26842241
Ba      54.50624319      45.21860898      48.40447689       0.29725017      -0.66490862      -0.23566224
Ba      51.61927098      48.41278976      48.34177746      -0.58735582      -0.11429512       0.11950943
Ba      45.25762832      51.61313283      44.91132060      -0.35605034      -0.32758681      -0.49022793
Ba      48.34610612      54.67628078      45.16046854       0.03657957       0.46457460      -0.59182672
Ba      48.07800735      51.43103638      48.18170840       0.39470056      -0.52165213       0.17263317
Ba      44.99787775      54.58976871      48.05828711      -0.37556955       0.51940958       0.20268193
Ba      51.62606938      51.61537688      45.27580721      -0.29736950      -0.39140531      -0.76600778
Ba      54.77834936      54.71000121      45.15717236       0.17408222       0.29369608      -0.15170378
Ba      54.50031491      51.55465834      48.22130706       0.75275299      -0.19325778       0.21296048
Ba      51.05605170      54.53420135      48.26095374       0.31883400       0.68210759       0.33940852
Ba      44.90962249      45.01269613      51.51899695      -0.44487166      -0.29434441      -0.20830548
Ba      48.19748577      48.06499757      51.46167613       0.21619267       0.44825689      -0.24500419
Ba      48.11733058      44.90080578      54.53012251       0.12644756      -0.45532878       0.37864554
Ba      44.96618657      48.03624498      54.75850392      -0.24110679       0.36171172       0.23620136
Ba      51.69308058      44.97781099      51.82464544      -0.35919552      -0.36659441      -0.33310842
Ba      54.89937694      48.02121136      51.28712034       0.36948554       0.59602114       0.28670565
Ba      54.83593567      45.20203930      54.75241579       0.23159354      -0.09515677       0.32607424
Ba      51.10688401      48.20635254      54.86700879       0.11706072       0.29113633       0.28011489
Ba      45.22606283      51.61783362      51.21852826      -0.56768871      -0.40212564       0.20327660
Ba      48.31090636      54.62026615      51.57450310       0.02474844       0.60760536      -0.27820976
Ba      48.06811084      51.70189920      54.73463803       0.22426845      -0.72348480       0.37079052
Ba      45.14432377      54.53874588      54.74150828      -0.47025356       0.39526963       0.20730345
Ba      51.50668483      51.51186005      51.39592313      -0.35652576      -0.43766736       0.02073468
Ba      54.79673482      54.60355498      51.41253955       0.19696051       0.45174258      -0.15666099
Ba      54.51512975      51.55826320      54.48901812       0.39152669      -0.41466097       0.37887695
Ba      51.32902626      54.46745999      54.75465143       0.06557315       0.48851997       0.35010483