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=145.98728008006862 stress="-8.237483314066303 -0.24285042042926022 -0.04825858641121824 -0.24285042042926022 -8.012021388477272 0.37313164392338494 -0.04825858641121824 0.37313164392338494 -4.2254985833183305" free_energy=145.98728008006862 pbc="T T F"
Ba       0.06504129      -0.29134056       0.22277084       7.26023954      14.70413975     -40.61662951
Ba       1.68584377       1.68362810       0.19581920      -9.24406475      -7.34596463     -42.47779181
Ba       1.64685009       0.42259636       1.67626233      -7.94952407      -5.06433484      40.56564869
Ba      -0.14597521       1.70996341       1.49207130       9.93334929      -2.29384028      42.52877264