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=406917.12377424387 stress="-69882.15565062185 -23230.96257331129 -5706.706901186223 -23230.96257331129 -60349.20413543677 1524.1181138506288 -5706.706901186223 1524.1181138506288 -52522.1103264149" pbc="T T T"
Ba      -0.25141389      -0.26851042      -0.05727739  904132.05728121  800562.27421520  306616.59575999 
Ba       1.51104761       1.58563825       0.09473432 -670169.84541010 -752957.34556164  105987.97036215 
Ba       1.51084883      -0.07623368       1.64001466 -285000.07124253  200142.88879560 -295877.42319206 
Ba       0.00992100       1.50099295       1.55335769   51037.85937143 -247747.81744916 -116727.14293008