36 Lattice="11.733147 0.0 0.0 0.0 14.504911 0.0 0.0 0.0 3.439836" Properties=species:S:1:pos:R:3:forces:R:3 energy=-232.2440400982222 stress="-0.006400418191374618 -1.6487940740080878e-06 3.0545128244160934e-12 -1.6487940740080878e-06 -0.008619076721168217 -3.421725059341707e-11 3.0545128244160934e-12 -3.421725059341707e-11 -0.007215339467232015" dipole="-0.0003671669131609452 0.0005808657252219837 3.580063888617619e-05" pbc="T T T" Se 5.06915000 2.98293000 0.00000000 0.00268202 0.01680595 0.00002009 Se 8.06397000 5.07524000 0.00000000 0.05264948 -0.00197274 0.00001211 Se 2.87119000 6.00575000 0.00000000 -0.00027366 0.00506647 0.00002222 Se 8.86196000 8.49916000 0.00000000 0.00004365 -0.00620728 0.00002222 Se 3.66917000 9.42968000 0.00000000 -0.05260509 0.00095974 0.00001211 Se 6.66400000 11.52198000 0.00000000 -0.00283712 -0.01652462 0.00002009 Se 8.73776000 1.24671000 1.71992000 0.00083860 -0.00535610 -0.00002223 Se 2.19740000 2.17722000 1.71992000 0.05168046 0.00152536 -0.00001210 Se 10.93572000 4.26953000 1.71992000 0.00300569 -0.01729938 -0.00002009 Se 0.79742000 10.23539000 1.71992000 -0.00309832 0.01691675 -0.00002009 Se 9.53575000 12.32769000 1.71992000 -0.05170861 -0.00058870 -0.00001210 Se 2.99538000 13.25820000 1.71992000 -0.00084960 0.00658849 -0.00002223 Ti 1.68064000 0.29642000 0.00000000 0.10033649 0.02362482 0.00001685 Ti 6.86379000 1.10014000 0.00000000 0.08527680 0.08786770 0.00001667 Ti 9.53366000 2.97388000 0.00000000 -0.04036431 0.01720168 0.00001929 Ti 1.06668000 3.78069000 0.00000000 0.00515967 -0.01534080 0.00001762 Ti 5.52121000 5.68309000 0.00000000 0.03333188 -0.06726573 0.00000954 Ti 10.39995000 6.18643000 0.00000000 -0.09006421 -0.08630716 0.00001034 Ti 1.33319000 8.31848000 0.00000000 0.09016453 0.08571018 0.00001033 Ti 6.21193000 8.82182000 0.00000000 -0.03339562 0.06660011 0.00000954 Ti 10.66646000 10.72422000 0.00000000 -0.00422735 0.01550528 0.00001762 Ti 2.19949000 11.53104000 0.00000000 0.04023959 -0.01711889 0.00001929 Ti 4.86936000 13.40477000 0.00000000 -0.08588592 -0.08682786 0.00001667 Ti 10.05250000 14.20849000 0.00000000 -0.10041441 -0.02245442 0.00001684 Ti 4.53338000 1.06602000 1.71992000 -0.09088306 0.08688053 -0.00001034 Ti 11.38779000 1.56937000 1.71992000 0.03351101 0.06589705 -0.00000955 Ti 6.93325000 3.47177000 1.71992000 0.00513220 0.01518095 -0.00001763 Ti 3.66709000 4.27858000 1.71992000 -0.04129073 -0.01748243 -0.00001929 Ti 0.99721000 6.15231000 1.71992000 0.08454019 -0.08756683 -0.00001667 Ti 7.54722000 6.95604000 1.71992000 0.10203242 -0.02362963 -0.00001685 Ti 4.18593000 7.54887000 1.71992000 -0.10219247 0.02253491 -0.00001686 Ti 10.73593000 8.35260000 1.71992000 -0.08500377 0.08657270 -0.00001667 Ti 8.06606000 10.22633000 1.71992000 0.04119396 0.01731138 -0.00001929 Ti 4.79989000 11.03315000 1.71992000 -0.00418130 -0.01538895 -0.00001763 Ti 0.34536000 12.93554000 1.71992000 -0.03370485 -0.06521370 -0.00000956 Ti 7.19977000 13.43889000 1.71992000 0.09094838 -0.08625005 -0.00001034