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=15557.148746604642 stress="-1590.2143481762603 -206.08113134508204 882.4623026334713 -206.08113134508204 -2965.106021306954 -1404.315874447818 882.4623026334713 -1404.315874447818 -2573.5579579894256" pbc="F F T"
Sc       0.18123933       0.10962035       0.14899124  -16320.97114546  -34765.00726485   -8450.50965865 
Sc       1.28833475       1.52837587      -0.10850099   19600.21465654   37276.26900290    6333.79028656 
Sc       1.58989384       0.18563866       1.78207123   13445.93676419  -23318.73138881  -19760.41889412 
Sc       0.04397324       1.50068814       1.26426352  -16725.18027527   20807.46965076   21877.13826621