108 Lattice="17.60715284752655 0.0 0.0 0.0 17.60715284752655 0.0 0.0 0.0 17.60715284752655" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-113.64428723268144 pbc="F F F" Ca 0.03156557 0.02302124 0.03108440 20 -0.12622222 -0.11849428 -0.12457821 Ca 2.91612309 2.89932774 0.05507867 20 0.19609178 0.21744283 -0.26026364 Ca 2.90172711 0.03111271 2.90053854 20 0.22979058 -0.25936045 0.19200095 Ca 0.02947760 2.90777931 2.91542119 20 -0.23512937 0.25287641 0.18367426 Ca 5.86413157 -0.03357008 -0.02094303 20 0.03665125 -0.08757558 -0.07673307 Ca 8.82940090 2.91042263 -0.03136341 20 -0.08022261 0.20382021 -0.07363439 Ca 8.82871328 -0.03770374 2.97565584 20 -0.04440050 -0.07871169 0.10219696 Ca 5.86698572 2.89364684 2.92244425 20 0.12669425 0.24965088 0.20484734 Ca 11.73215794 0.04634021 -0.05520485 20 -0.10639296 -0.16070307 -0.09146513 Ca 14.62235857 2.95918240 0.03341041 20 0.15607704 0.13939068 -0.15758747 Ca 14.71324729 0.02339188 2.91014341 20 0.05368152 -0.13214894 0.16268218 Ca 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