EXAMPLES/2C-1.xyz

2
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