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=3061.648750164118 stress="-439.1040137590245 -160.15302093605428 99.63395676504513 -160.15302093605428 -472.7809924543492 -194.97336959463058 99.63395676504513 -194.97336959463058 -480.49364488015715" pbc="T F T" Ca 0.23929497 0.20919337 0.08727863 1381.15464638 -5329.79418370 -5424.29234161 Ca 1.78296178 1.65575200 -0.20953401 -1121.47644081 1501.54044481 887.75701981 Ca 1.75406401 0.11146389 1.51156687 -5621.96165078 -6103.96066631 530.52139065 Ca -0.01411445 1.21566415 1.38986252 5362.28344521 9932.21440520 4006.01393115