4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=6977770.311612479 pbc="T T T" Ca -0.14829944 0.00761154 0.24039990 20 -32575689.86961798 -9698057.91560815 -8495797.60838644 Ca 0.51607067 0.64689354 0.15725740 20 17895545.17395321 28002480.55311516 -35291964.44637457 Ca 0.71377773 -0.25679528 0.39401342 20 21409420.20865819 -18468418.00320503 3040142.79439828 Ca 0.28513272 0.45723538 0.97832922 20 -6729275.51299349 163995.36569801 40747619.26036279