../../td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002/runner Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001 1 -1 0 1 1 -2 1 1 1 Mo bcc [3.082927376031875e-10, 1.039574370123953e-18] 95.95 0 60 8 0.5 1 1 10 0.25