256 Lattice="23.170453829819984 0.0 0.0 0.0 23.170453829819984 0.0 0.0 0.0 23.170453829819984" Properties=species:S:1:pos:R:3:forces:R:3 energy=-312.74832865067805 stress="-0.0004304087887139107 9.972058372928492e-07 -3.779184205433886e-05 9.972058372928492e-07 -0.00047704712286164737 1.0767208823180456e-05 -3.779184205433886e-05 1.0767208823180456e-05 -0.000440325385588455" free_energy=-312.74832865067805 pbc="F F F" Ca 0.01148359 0.02491167 0.03611833 -0.08744191 -0.12094845 -0.12133183 Ca 2.94561928 2.88931478 0.00591322 0.09716100 0.19468451 -0.22576937 Ca 2.90803190 0.05327649 2.94813435 0.18760377 -0.29504426 0.11269908 Ca 0.02002653 2.84475389 2.90665073 -0.26960700 0.27559555 0.11976968 Ca 5.76308825 0.00126015 0.00277959 0.08252317 -0.15130294 -0.10068712 Ca 8.66482852 2.94286702 0.01097959 -0.03457687 0.10394789 -0.21918189 Ca 8.74555658 0.02979361 2.93343602 -0.06401252 -0.19197864 0.15581523 Ca 5.78638270 2.89869690 2.95180040 0.06344623 0.27643795 0.13445985 Ca 11.61042972 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