/disk2/worker/repository/td/LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001/runner Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Cu__MO_173787283511_001 bcc Cu 2 1 -1 1 0 1 1 1 nrlx