256 Lattice="23.170452117919922 0.0 0.0 0.0 23.170452117919922 0.0 0.0 0.0 23.170452117919922" Properties=species:S:1:pos:R:3:forces:R:3 energy=-312.3874299409856 stress="-0.0005407498271072333 -4.1182333797028565e-05 -3.059440651858338e-05 -4.1182333797028565e-05 -0.0005285266961855316 2.9965591743179835e-05 -3.059440651858338e-05 2.9965591743179835e-05 -0.0005504764924443022" free_energy=-312.3874299409856 pbc="F F F" Ca 0.03798697 0.03315575 0.03052528 -0.14622479 -0.15837013 -0.14195022 Ca 2.86097723 2.88392023 0.00545773 0.30538292 0.19299397 -0.23928132 Ca 2.84439847 0.01312849 2.94758015 0.30534210 -0.22870973 0.10448597 Ca 0.03012086 2.88133238 2.88432159 -0.27916946 0.21316176 0.21561232 Ca 5.76323501 0.00526832 0.05001478 -0.04596155 -0.17318555 -0.15954390 Ca 8.65034445 2.84018568 0.00279385 0.08341947 0.28279434 -0.21608012 Ca 8.66242169 0.01475811 2.85697922 0.04064374 -0.23511350 0.27866538 Ca 5.84812823 2.91649534 2.91957277 -0.10400827 0.20039283 0.19875437 Ca 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