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=65210.52162665088 stress="-220065.0275278805 62381.23609756273 -4246.654315231048 62381.23609756273 -299537.11634952464 -100194.62922698665 -4246.654315231048 -100194.62922698665 -267262.99013755075" pbc="F F F" Fr 0.11556308 -0.18347224 0.00404149 -20018.61836674 -147255.32335857 -122120.02398448 Fr 1.76457972 1.43528000 -0.18857102 36805.42438112 46418.93822572 -50631.29965474 Fr 1.64319607 0.23772786 1.71551531 86215.13507273 -62264.09166426 74678.69675654 Fr -0.15304531 1.35313883 1.32653217 -103001.94108710 163100.47679712 98072.62688268