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Runtime error
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Lattice="2.4672312604313453 -1.7550685731635223e-20 0.0 -1.233615630215672 2.1366849485446453 0.0 1.118374734265682e-17 0.0 15.0" Properties=species:S:1:pos:R:3 energy=-18.453766945888727 dipole="0.8699688255098961 -0.5022767355947244 3.473501422988429e-08" free_energy=-18.45387516640614 pbc="T T F"
C 0.00000000 0.00000000 7.49999997
C 1.23361563 0.71222832 7.50000001
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