16
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=-5.771227351288765 stress="0.00020616048140880422 3.613680445071961e-06 0.000133620109623327 3.613680445071961e-06 0.0003477826973963478 0.0001364579569579761 0.000133620109623327 0.0001364579569579761 0.00025149754857956474" free_energy=-5.771227351288765 pbc="F F F"
O       21.24759167      21.11018303      20.92518197       2.60148226       3.48886615       3.45909680
B       22.24663523      22.48702489      22.25311985      -3.59227450      -0.85775972      -1.98740317
H       24.18843096      21.17061300      21.29169807       1.30944052       2.01215291       1.90378256
B       25.46863002      22.44630638      22.53851086      -3.74341461       2.71016080      -3.41501293
N       21.14982991      23.87161134      20.82929456       1.15688450       0.20364651       1.56962417
N       22.28747849      25.39476746      22.33582542      -0.77456352      -0.75734695      -0.62452419
O       24.28095696      23.82464588      21.26008946       2.76687368      -0.63802717       2.61798519
B       25.32973487      25.32230465      22.63142588      -0.71813235      -3.60466093      -1.10097610
O       20.80083648      20.80011233      24.02120649      -0.29960163      -0.21416064       0.16948623
H       22.24014891      22.43198894      25.32743118      -0.84961302       1.43226117      -0.91436911
O       23.66356972      20.83878295      23.87712028      -0.02471018      -0.38719329       0.05912711
N       25.32076584      22.13526397      25.39190495       0.15397598       0.12614167       0.15324677
B       21.23010044      24.09566688      24.12528982       3.91342626      -3.22145523      -1.12443925
H       22.80525714      25.51007121      25.59506671      -0.38379918      -0.29715148      -0.31777576
H       23.55494236      23.69732954      24.07255377      -1.53245784       0.01027370      -0.43787283
N       25.27389607      25.63521881      25.62117345       0.01648365      -0.00574751      -0.00997548