Si bcc TorchML_NequIP_GuptaTadmorMartiniani_2024_Si__MO_196181738937_000 3.089676856994629
Optimization terminated successfully.
         Current function value: -9.750922
         Iterations: 1064
         Function evaluations: 3177

C11 =   103.366460 +/-     0.007336 GPa
C12 =   107.676763 +/-     0.005187 GPa
C44 =    -9.709417 +/-     0.001834 GPa
B   =   106.239995 +/-     0.004235 GPa