../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca
A_tI2_139_a
a c/a
standard
2
4.5185 0.90056435
3.8933 1.4073408
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_004