500 Lattice="28.30214039767677 0.0 0.0 0.0 28.30214039767677 0.0 0.0 0.0 28.30214039767677" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-44.61904054501261 pbc="F F F" Kr -0.00078747 -0.03410941 0.03982513 36 -0.00653518 -0.00563554 -0.00672175 Kr 2.77660325 2.84044788 -0.05247522 36 0.02613110 -0.00510307 -0.01269470 Kr 2.83619865 0.04999725 2.81599018 36 0.01201018 -0.02289975 0.00638681 Kr 0.04574048 2.83299983 2.80524673 36 -0.01958163 0.01139848 0.00773670 Kr 5.71578241 0.02334039 0.01526632 36 -0.01384568 -0.00934522 -0.00888358 Kr 8.47714792 2.80224000 -0.04420593 36 0.01033245 0.01577710 0.00062268 Kr 8.50988179 -0.02658399 2.82020481 36 -0.00597917 -0.00180796 0.01920227 Kr 5.64231449 2.82570784 2.86328425 36 0.01846561 0.00706135 -0.00665090 Kr 11.29198423 -0.02384399 0.01787711 36 0.00327276 -0.00895212 -0.01479826 Kr 14.16014789 2.78257490 -0.01425481 36 -0.00784110 0.00924439 -0.01201025 Kr 14.11138453 -0.01645631 2.82091115 36 0.00958019 -0.00810596 0.01575725 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