180 Lattice="8.66593708097935 0.0 0.0 0.0 8.66593708097935 0.0 0.0 0.0 57.772913873195655" Properties=species:S:1:pos:R:3:forces:R:3 energy=-736.8528705764737 stress="0.005928669019668122 2.308803182043913e-12 2.1123688524367005e-07 2.308803182043913e-12 0.005928669024149277 -9.939098231002458e-07 2.1123688524367005e-07 -9.939098231002458e-07 -2.2537938455259844e-08" free_energy=-736.8528705764737 pbc="T T F" Fe 8.66516753 0.01105401 14.49410822 -0.00000212 -0.00000367 -0.00000107 Fe 1.44355280 1.45537603 15.92455421 -0.00000233 -0.00000376 -0.00000086 Fe 8.66516617 0.01105183 17.33872352 -0.00000016 -0.00000312 -0.00000166 Fe 1.44355091 1.45537265 18.78363334 -0.00000045 -0.00000071 -0.00000127 Fe 8.66516393 0.01104717 20.22782535 -0.00000076 -0.00000191 0.00000199 Fe 1.44354860 1.45536720 21.67216509 0.00000013 -0.00000169 0.00000226 Fe 8.66516178 0.01104127 23.11648572 0.00000217 -0.00000056 0.00000015 Fe 1.44354706 1.45536052 24.56080888 0.00000135 -0.00000212 0.00000001 Fe 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