612 Lattice="16.220591779410597 0.0 0.0 -8.110295889705297 14.047444545386611 0.0 0.0 0.0 37.5248302307872" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6704.079876612233 stress="-126.51935508402201 0.004305968580553099 -0.008560629670846254 0.004305968580553099 -126.55611568055295 -0.03654224294791675 -0.008560629670846254 -0.03654224294791675 2.2977916991351321e-07" pbc="T T F" Pd 0.00390237 0.00377764 -0.02353695 -0.00000184 -0.00000789 -0.00000002 Pd 2.70733433 0.00377764 -0.02353695 -0.00000185 -0.00000789 0.00000001 Pd 1.35561835 2.34501840 -0.02353695 -0.00000183 -0.00000789 -0.00000001 Pd -1.34781361 2.34501840 -0.02353695 -0.00000186 -0.00000789 -0.00000002 Pd 2.70733409 1.56460379 2.20753360 -0.00000183 -0.00000764 0.00000003 Pd 5.41076606 1.56460379 2.20753360 -0.00000174 -0.00000760 0.00000004 Pd 4.05905007 3.90584455 2.20753360 -0.00000172 -0.00000748 -0.00000000 Pd 1.35561811 3.90584455 2.20753360 -0.00000182 -0.00000756 0.00000001 Pd 5.41076564 3.12542919 4.41823115 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