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=1314891.4509423745 stress="-175116.85811979303 -23508.753248615976 -9304.157155823774 -23508.753248615976 -219166.67061907906 -41816.528835264304 -9304.157155823774 -41816.528835264304 -191464.63228276887" pbc="T T T" Fr 0.18561528 0.19233641 0.34335935 -1972247.50426207 -2626093.81133674 -2421352.80961932 Fr 1.25581790 1.50515575 0.11620731 1613162.56895612 1438867.84868498 -861284.01713437 Fr 1.29332316 0.26915461 1.62078536 1470698.96363947 -528470.21916206 1384180.66854984 Fr -0.10186398 1.54284362 1.29388121 -1111614.02833352 1715696.18181383 1898456.15820384