108 Lattice="22.89839702326148 0.0 0.0 0.0 22.89839702326148 0.0 0.0 0.0 22.89839702326148" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-46.384792398941805 pbc="F F F" K -0.04805465 -0.05697099 -0.05297294 19 -0.02033458 -0.01988567 -0.02131900 K 3.86980726 3.76141979 -0.01362038 19 0.04590009 0.06783740 -0.06755463 K 3.79386201 0.06646613 3.77402178 19 0.03255452 -0.06996403 0.07367715 K 0.00299212 3.82708150 3.75926302 19 -0.06108806 0.04736881 0.07264604 K 7.55767332 -0.03097716 0.06488247 19 0.02538132 -0.04498315 -0.04834853 K 11.48339308 3.76870528 -0.07421084 19 -0.02075307 0.05481738 -0.03037421 K 11.38075463 0.01366728 3.84263041 19 0.00885782 -0.04648563 0.05388539 K 7.63273521 3.75870754 3.84830177 19 0.02144361 0.11088475 0.06895802 K 15.23887288 -0.05294777 -0.04701834 19 -0.03802947 -0.04410493 -0.03530231 K 19.09336976 3.78766274 -0.06089096 19 0.04381884 0.03697096 -0.03948969 K 19.05738307 -0.03642448 3.84031121 19 0.05087005 -0.04708695 0.02967133 K 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