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=141.17768705364875 stress="-8.597359629369524 -1.0327497586946306 -0.24743337208777108 -1.0327497586946306 -8.30761036319997 1.3155732623134728 -0.24743337208777108 1.3155732623134728 -4.72053054039351" free_energy=141.17768705364875 pbc="T T F"
In       0.06504129       2.70865944       0.22277084      19.62097067      42.85101942     -50.93597002 
In       1.68584377       1.68362810       0.19581920     -26.59984983     -16.64858539     -43.83672701 
In       1.64685009       0.42259636       1.67626233     -15.71467569     -14.71529720      32.45453854 
In       2.85402479       1.70996341       1.49207130      22.69355486     -11.48713682      62.31815849