reaction	        O(0)	        C(4)	       C(-4)	       Fe(3)	       Fe(2)	        S(6)	       S(-2)	 mackinawite	d_mackinawite	
         -99	 4.0454e-004	 1.0913e-003	 0.0000e+000	 0.0000e+000	 0.0000e+000	 1.4629e-002	 0.0000e+000	 0.0000e+000	 0.0000e+000	
 1.0000e-004	 1.6454e-004	 1.1913e-003	 0.0000e+000	 2.5677e-008	 4.4489e-018	 1.4629e-002	 0.0000e+000	 0.0000e+000	 0.0000e+000	
 2.0000e-004	 0.0000e+000	 1.2912e-003	 2.4184e-039	 2.5215e-008	 5.0917e-005	 1.4629e-002	 9.3941e-036	 0.0000e+000	 0.0000e+000	
 1.0000e-002	 0.0000e+000	 1.1088e-002	 5.9710e-013	 3.5830e-008	 2.0167e-003	 1.0162e-002	 2.3119e-010	 4.4636e-003	 4.4636e-003	
 2.0000e-002	 0.0000e+000	 2.1078e-002	 1.7496e-012	 3.3794e-008	 3.6314e-003	 5.5635e-003	 1.9343e-010	 9.0617e-003	 9.0617e-003	
 3.0000e-002	 0.0000e+000	 3.1062e-002	 1.1621e-011	 3.3786e-008	 5.5175e-003	 9.9836e-004	 1.5961e-010	 1.3629e-002	 1.3629e-002	
 4.0000e-002	 0.0000e+000	 3.8321e-002	 2.7158e-003	 5.8228e-008	 1.4419e-002	 6.7636e-013	 3.4113e-011	 1.4629e-002	 1.4629e-002	
 5.0000e-002	 0.0000e+000	 4.3681e-002	 7.3369e-003	 5.5971e-008	 1.8627e-002	 2.3376e-013	 2.8920e-011	 1.4629e-002	 1.4629e-002