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=829.3470307760064 stress="-31.932020639378536 -0.10406469131722257 2.76473830613565 -0.10406469131722257 -49.46283090698381 -0.8261765737624455 2.76473830613565 -0.8261765737624455 -52.59166673014202" free_energy=829.3470307760064 pbc="F T T"
I       0.12986364       0.27479266       2.64847965    -292.83264977     -58.98805240      64.40253402 
I       1.64223686       1.40692346       0.28247955     263.00664572      87.25790608       4.66308473 
I       1.65839896       0.21468373       1.83653416     291.38601586     -81.94535702     -54.15870586 
I       0.05719733       1.64139380       1.29328005    -261.56001181      53.67550335     -14.90691288