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=124642.72586068664 stress="-21182.503056546622 -3538.332664155774 -12961.575701937058 -3538.332664155774 -9864.090608081207 2718.043234638886 -12961.575701937058 2718.043234638886 -24852.121729390863" pbc="T F F"
Sc       0.29735026       0.12198838       0.25177969 -435837.00512876 -124168.21414763 -461431.24847921 
Sc       1.53585201       1.20657456       0.14977751   75340.93487271  191405.23351067 -176889.67870512 
Sc       1.27415742       0.20601308       1.25344685  377875.09189037 -135177.88544608  569909.77768657 
Sc      -0.18837542       1.15366872       1.45193853  -17379.02163433   67940.86608305   68411.14949776