4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=75457.92815951072 stress="-13755.196991609211 5565.672674904185 5.556566810010635 5565.672674904185 -13078.467009564896 -526.6837179300325 5.556566810010635 -526.6837179300325 -7195.959261853942" pbc="T T F"
Sc      -0.25735114       0.29489189       0.22109038  219112.31192220 -226592.88198484 -102050.80292774 
Sc       1.67858551       1.34021937       0.23739289 -238466.44687921  202179.93388226  -83723.21495565 
Sc       1.61491311       0.13087935       1.40761254  -53272.20935380  -43739.23671778   92210.84494275 
Sc       0.00745443       1.62601169       1.14288027   72626.34431081   68152.18482036   93563.17294064