36 Lattice="12.707276 0.0 0.0 0.0 15.875564 0.0 0.0 0.0 3.631401" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.88709528122192 stress="0.004153423128666619 -3.084413913627149e-06 -4.089687836169162e-11 -3.084413913627149e-06 0.0036505953866387054 -1.813525290100505e-11 -4.089687836169162e-11 -1.813525290100505e-11 0.0034885872918718436" dipole="0.00014144493072216962 -0.00031728827367650186 -1.0983913927583315e-05" pbc="T T T" Se 5.34303000 3.27878000 0.00000000 0.04291653 0.00726095 -0.00000395 Se 8.67751000 5.52637000 0.00000000 -0.02807474 0.02014499 -0.00000263 Se 3.12149000 6.66454000 0.00000000 0.01579612 -0.00601395 -0.00000418 Se 9.58579000 9.21102000 0.00000000 -0.01568710 0.00671943 -0.00000419 Se 4.02976000 10.34920000 0.00000000 0.02813877 -0.01974586 -0.00000264 Se 7.36425000 12.59678000 0.00000000 -0.04302114 -0.00741810 -0.00000397 Se 9.47513000 1.27324000 1.81570000 0.01524164 0.00605361 0.00000419 Se 2.32387000 2.41142000 1.81570000 -0.02762844 -0.02077295 0.00000263 Se 11.69667000 4.65900000 1.81570000 0.04272556 -0.00777323 0.00000396 Se 1.01061000 11.21657000 1.81570000 -0.04280087 0.00792547 0.00000397 Se 10.38340000 13.46415000 1.81570000 0.02772375 0.02024487 0.00000262 Se 3.23215000 14.60233000 1.81570000 -0.01513356 -0.00670639 0.00000419 Zr 1.89952000 0.37856000 0.00000000 0.02673144 -0.00363226 -0.00000423 Zr 7.41129000 1.27729000 0.00000000 0.02669146 0.00274930 -0.00000356 Zr 10.17269000 3.22796000 0.00000000 -0.00279729 -0.00957082 -0.00000387 Zr 0.97915000 4.01851000 0.00000000 -0.01881961 -0.03434976 -0.00000426 Zr 5.94190000 6.19234000 0.00000000 0.01226390 -0.01585484 -0.00000282 Zr 11.14518000 6.73422000 0.00000000 -0.00456986 -0.02915870 -0.00000260 Zr 1.56209000 9.14134000 0.00000000 0.00469368 0.02967350 -0.00000260 Zr 6.76537000 9.68322000 0.00000000 -0.01221323 0.01637526 -0.00000282 Zr 11.72813000 11.85706000 0.00000000 0.01812145 0.03410359 -0.00000427 Zr 2.53459000 12.64761000 0.00000000 0.00308108 0.00943315 -0.00000387 Zr 5.29599000 14.59828000 0.00000000 -0.02657733 -0.00358981 -0.00000356 Zr 10.80776000 15.49701000 0.00000000 -0.02676799 0.00267884 -0.00000423 Zr 4.79155000 1.20356000 1.81570000 -0.00365280 0.02822197 0.00000260 Zr 12.29554000 1.74544000 1.81570000 0.01210607 0.01524321 0.00000282 Zr 7.33278000 3.91928000 1.81570000 -0.01840956 0.03322946 0.00000427 Zr 3.81905000 4.70983000 1.81570000 -0.00214630 0.00915062 0.00000388 Zr 1.05765000 6.66049000 1.81570000 0.02758582 -0.00318208 0.00000357 Zr 8.25316000 7.55922000 1.81570000 0.02672406 0.00361003 0.00000422 Zr 4.45412000 8.31634000 1.81570000 -0.02677318 -0.00263359 0.00000421 Zr 11.64963000 9.21507000 1.81570000 -0.02753757 0.00403832 0.00000355 Zr 8.88822000 11.16574000 1.81570000 0.00254938 -0.00912461 0.00000388 Zr 5.37449000 11.95629000 1.81570000 0.01782741 -0.03305518 0.00000426 Zr 0.41173000 14.13012000 1.81570000 -0.01207808 -0.01567035 0.00000282 Zr 7.91573000 14.67200000 1.81570000 0.00369389 -0.02862036 0.00000260