32
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-20.276083943264982 stress="-0.36004969655349534 0.05528054744210061 -0.00257746734110399 0.05528054744210061 -0.500997353110274 0.11956487241352709 -0.00257746734110399 0.11956487241352709 -0.306832876864586" free_energy=-20.276083943264982 pbc="F F F"
B        0.03181700       0.27768938       0.23729667       4.72504728       6.85989016       7.66858612
H        1.24934259       1.48800704       0.34011298      -0.36361610      -0.44284737      -0.74733500
H        1.60108297       0.18951062       1.49812296      -2.79784525      -3.42886084      -3.96897355
N        0.28393872       1.38117002       1.24663087      -5.05140703      -6.65718587     -10.25860590
B        3.12611920       0.01218936       0.08477182      -0.16041353      -3.58832453      -4.43648608
B        4.56125363       1.61377241       0.08935294       5.71375760      -7.32827406      -8.30403769
B        4.51623278       0.17020326       1.68436130       8.53874525      -8.70361849      -0.79506153
N        2.98071622       1.45390799       1.61010879      -6.26402405       1.40163180       7.47663638
H        0.23529665       2.93015557       0.13384353      -3.92751713      -1.80768214      -0.73816949
O        1.48800007       4.21379484       0.32906758      -3.53639137       6.33746277       0.43012162
O        1.77554868       2.93956939       1.51156787      -1.13370728      -8.13382133     -15.02933753
B        0.24967036       4.65346966       1.35504595      -0.89573021       2.83892041      -2.71297840
N        3.25263109       3.03010331       0.13905187       1.15469244      11.94809559      -6.72768986
O        4.28299082       4.45003274       0.42727539      -2.09676709      -1.69121417      -0.33418278
N        4.38873024       2.85334509       1.61562410       1.51070479       5.51405151       5.72778180
H        2.87008130       4.33646525       1.70532527       8.24801529      10.17346160       3.70003185
N        0.10664401       0.28187540       3.12514167       2.02523814      -5.64228043       9.48908532
O        1.34871869       1.55538667       2.89144710       0.87688681      -1.59991870       5.08236482
N        1.16671007       0.09940259       4.23876631      -5.25350133      -2.22348079      -4.86626903
O        0.04050571       1.50471006       4.35695718      -4.79385380      -3.26619332       7.63849045
B        3.16904494       0.02768138       3.01885098       2.55574964      -3.77493990       7.26866039
H        4.67370812       1.19356755       3.38230476       1.17670347       2.17686582       3.77811600
H        4.62882277       0.49860511       4.35293551       0.19087179       1.24501829      -1.35242701
H        2.93227989       1.29432760       4.59235979       1.49367098      -3.19762213      -2.34550038
O        0.27283800       3.13226117       2.70303582      -6.23597113      10.76183866      -2.25430070
N        1.57902817       4.34513940       3.06410228      -1.80020350      -0.49710070       1.10398904
H        1.32379032       3.10089068       4.57952644       0.21240423       2.34787906       0.89430973
N        0.10364881       4.69226701       4.58689829       1.97761668      -0.57576862      -0.84191423
O        2.74334155       2.67455793       3.11731695       0.37809249       1.60131332       2.01355923
O        4.32619734       4.69535506       3.19433313      -2.97710455      -0.06608978       5.62922087
B        4.49869151       2.86492079       4.30889710       2.59377058      -0.97353418       1.91761658
B        3.10912114       4.63361781       4.72105798       3.91608588       0.39232836      -4.10530103