Si bcc TorchML_MACE_GuptaTadmorMartiniani_2024_Si__MO_781946209112_000 3.423065781593323
Optimization terminated successfully.
         Current function value: -10.032732
         Iterations: 1064
         Function evaluations: 3172

C11 =   288.958050 +/-     0.007336 GPa
C12 =   843.887272 +/-     0.005187 GPa
C44 =   395.696645 +/-     0.001834 GPa
B   =   658.910864 +/-     0.004235 GPa