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=-20.27608401498306 stress="-0.3600496731635199 0.055280504283844886 -0.002577529436562233 0.055280504283844886 -0.5009973276196067 0.11956483796575594 -0.002577529436562233 0.11956483796575594 -0.30683278662940483" free_energy=-20.27608401498306 pbc="F F F"
B        0.03181700       0.27768938       0.23729667       4.72504600       6.85989197       7.66858896
H        1.24934259       1.48800704       0.34011298      -0.36361894      -0.44284646      -0.74733287
H        1.60108297       0.18951062       1.49812296      -2.79784709      -3.42886046      -3.96897438
N        0.28393872       1.38117002       1.24663087      -5.05140448      -6.65719063     -10.25861491
B        3.12611920       0.01218936       0.08477182      -0.16041367      -3.58832441      -4.43648603
B        4.56125363       1.61377241       0.08935294       5.71375836      -7.32827455      -8.30403837
B        4.51623278       0.17020326       1.68436130       8.53874606      -8.70361947      -0.79506123
N        2.98071622       1.45390799       1.61010879      -6.26402404       1.40163594       7.47663812
H        0.23529665       2.93015557       0.13384353      -3.92751673      -1.80768489      -0.73816963
O        1.48800007       4.21379484       0.32906758      -3.53639713       6.33746464       0.43012476
O        1.77554868       2.93956939       1.51156787      -1.13370672      -8.13382175     -15.02933738
B        0.24967036       4.65346966       1.35504595      -0.89572394       2.83891682      -2.71297689
N        3.25263109       3.03010331       0.13905187       1.15469239      11.94809456      -6.72768932
O        4.28299082       4.45003274       0.42727539      -2.09676777      -1.69121458      -0.33418149
N        4.38873024       2.85334509       1.61562410       1.51070366       5.51405164       5.72778201
H        2.87008130       4.33646525       1.70532527       8.24801585      10.17346363       3.70003136
N        0.10664401       0.28187540       3.12514167       2.02523828      -5.64227877       9.48908640
O        1.34871869       1.55538667       2.89144710       0.87688704      -1.59991898       5.08236499
N        1.16671007       0.09940259       4.23876631      -5.25350037      -2.22348135      -4.86626969
O        0.04050571       1.50471006       4.35695718      -4.79385471      -3.26619394       7.63848949
B        3.16904494       0.02768138       3.01885098       2.55574842      -3.77493886       7.26866005
H        4.67370812       1.19356755       3.38230476       1.17670401       2.17686534       3.77811653
H        4.62882277       0.49860511       4.35293551       0.19087173       1.24501842      -1.35242704
H        2.93227989       1.29432760       4.59235979       1.49367154      -3.19762211      -2.34549941
O        0.27283800       3.13226117       2.70303582      -6.23597181      10.76183941      -2.25430112
N        1.57902817       4.34513940       3.06410228      -1.80020286      -0.49709885       1.10398813
H        1.32379032       3.10089068       4.57952644       0.21240392       2.34787987       0.89430763
N        0.10364881       4.69226701       4.58689829       1.97761691      -0.57576876      -0.84191363
O        2.74334155       2.67455793       3.11731695       0.37809430       1.60131230       2.01355960
O        4.32619734       4.69535506       3.19433313      -2.97710452      -0.06609005       5.62922250
B        4.49869151       2.86492079       4.30889710       2.59377052      -0.97353445       1.91761640
B        3.10912114       4.63361781       4.72105798       3.91608580       0.39232876      -4.10530354