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:Z:I:1:forces:R:3 energy=636056.8862422737 pbc="F T F" Th 0.00557582 -0.17228612 0.25341144 90 -212933.71079607 2527493.71359438 -2520585.25686332 Th 1.49656544 1.15885194 0.10700865 90 213340.71076218 345548.64636864 -494779.39524661 Th 1.27930539 0.10154649 1.45232447 90 312779.93491801 -232333.99398908 719344.44667792 Th -0.05375707 1.68238318 1.21594341 90 -313186.93488412 -2640708.36597394 2296020.20543201