Si diamond TorchML_NequIP_GuptaTadmorMartiniani_2024_Si__MO_196181738937_000 5.446553215384484
Optimization terminated successfully.
         Current function value: -43.558270
         Iterations: 69
         Function evaluations: 181

C11 =   139.826860 +/-     0.007336 GPa
C12 =    87.705918 +/-     0.005187 GPa
C44 =    60.871960 +/-     0.001834 GPa
B   =   105.079565 +/-     0.004235 GPa