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:Z:I:1:forces:R:3 energy=10837.543681338275 pbc="T F T" Mo 0.22811156 0.00514875 0.19482935 42 -24908.59549672 -7283.00177530 -22680.98216312 Mo 1.50312502 1.40807186 0.20779463 42 16943.42250957 9245.88702004 -14695.89978920 Mo 1.48783005 -0.23337607 1.36625159 42 20214.19272564 -8983.70034420 21996.00518090 Mo 0.19219296 1.54847138 1.43440643 42 -12249.01973848 7020.81509946 15380.87677142