Si fcc TorchML_NequIP_GuptaTadmorMartiniani_2024_Si__MO_196181738937_000 2.471651270985603
Optimization terminated successfully.
         Current function value: 15.384521
         Iterations: 67
         Function evaluations: 171

C11 =   -15.220571 +/-     0.007336 GPa
C12 = 43754.128028 +/-     0.005187 GPa
C44 = 18646.506900 +/-     0.001834 GPa
B   = 29164.345161 +/-     0.004235 GPa