32
Lattice="47.494577485107115 0.0 0.0 0.0 47.494577485107115 0.0 0.0 0.0 47.494577485107115" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13.998606048288512 stress="0.00037238231174371454 -6.600990221254608e-05 -9.909550446049508e-07 -6.600990221254608e-05 0.00038566041597397127 -1.3947744809593256e-05 -9.909550446049508e-07 -1.3947744809593256e-05 0.0003080775764729686" free_energy=-13.998606048288512 pbc="F F F"
O       23.59973550      23.67444282      24.01033180       0.34512062       0.15310493      -0.28537356
B       25.41898007      25.36470347      23.66150484       2.11024238      -0.69191503       2.39315851
N       25.31350778      23.79739988      25.57718438      -0.83133737       1.87159330       0.62209107
N       23.93862576      25.61312405      25.62507417       1.84165808       1.40469599       1.04410754
N       27.35865256      24.00206425      23.89316282       2.74756009       0.54145387       1.64980661
O       28.93483417      25.44544711      23.71212120       0.16818738      -1.57815480       1.65219507
B       28.99215966      23.69708600      25.15080709      -3.57944345       2.40509917      -2.40830508
B       27.24039041      25.42862512      25.54029956      -1.03721574      -0.17676736       0.79050274
N       23.69661820      27.21367876      23.62564643      -0.11324313      -0.15570767       0.06160092
B       25.55005936      28.97902222      23.58997819      -1.40532596      -0.71121132       3.15570177
O       25.20369891      27.27498780      25.67290827      -6.18326513       1.88371537      -1.81164187
B       23.77733650      28.88880544      25.41072111       6.30637463      -3.86088502      -0.95224212
O       27.14958036      27.33881236      23.82837472       0.74513794       3.70880011       0.69323590
N       28.88071136      28.52303779      23.80911542      -1.33687877      -1.75168400       0.49374446
B       29.07773179      26.89874548      25.44031524      -1.83506942       0.02219553       1.06409191
O       26.93994279      28.55340521      25.35764963      -0.83036943       0.38901254      -2.78884133
H       23.52108650      23.81334439      26.68472366       0.22822765       0.10634655      -0.21763301
O       25.66210665      25.23597603      27.27225009      -2.49569154      -6.23087093       4.00372279
B       25.57885909      23.99327181      28.95915153       3.48441682       6.57393780      -5.15081209
H       23.74027919      25.47934209      28.75285865       1.15633031      -1.00603059       0.20680519
H       26.89011146      23.75307329      26.89879095      -0.73468935       1.46969502      -0.46931109
H       28.92036398      25.58591442      27.19032548       0.67072340       1.02635764      -0.92758833
O       28.62572198      23.70053525      28.74894918      -1.88755566       2.28045242       0.22631647
N       27.28440140      25.23464252      28.84828096      -1.31804489      -5.31407560       0.16283906
H       23.57504573      26.94906885      26.96700502       0.18834923      -0.59730191      -1.61733177
H       25.38759904      28.60992292      27.13772969      -0.13241145       0.69472155       0.49706590
N       25.56573938      27.22399445      28.88565353      -0.40157047       3.22906600       0.14581285
N       23.74572454      28.63770875      28.71783720       1.48397805      -1.19018865       0.13129586
O       27.04073366      26.89583486      27.10635905       3.47225381      -1.38134127      -0.40403834
H       28.55750530      28.59001588      26.69676462       1.01683918      -1.68830397      -1.28992568
H       28.84615139      27.12646226      28.54742850      -0.43394875       0.49946994       0.15167796
B       27.06955207      28.88703828      28.93080393      -1.40933906      -1.92527962      -0.82272834