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=549453.071957422 stress="-1607506.8922130966 361831.7311266625 -361050.15744160954 361831.7311266625 -2768271.7038691947 -1283259.3789624546 -361050.15744160954 -1283259.3789624546 -2243619.6451552245" pbc="F F F"
Ba       0.05345815       0.28151597       0.28249982 -554149.04361291 -1715084.16175078 -1967127.89688384 
Ba       1.49995750       1.78371557       0.32184022  199288.72666719  437545.48397771 -306515.08854300 
Ba       1.41589935       0.25977495       1.27557324  880343.12157015 -442285.60144513  831745.45301660 
Ba      -0.17456099       1.50337063       1.27403614 -525482.80462443 1719824.27921820 1441897.53241023