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=27.367294930741345 stress="-2.2421638679129594 0.10664480417095411 0.7791576589784045 0.10664480417095411 -2.040775993194745 0.004683753756839292 0.7791576589784045 0.004683753756839292 -1.731641524410312" free_energy=27.367294930741345 pbc="T T F"
O       2.78802619       0.26125400       0.18584377      23.53586085      -3.86195951     -25.74388970 
O       1.68362810       1.65356579       0.14685009      -6.01438104       4.83911966     -11.42211435 
O       1.76959405       0.17626233       1.35402479     -14.83391638      -5.00332778      27.49198596 
O       0.40174959       1.49207130       1.65300231      -2.68756342       4.02616763       9.67401809