crystal_property_validation = nlread('crystal_property_validation.hdf5')[0]

potentialSet = QuantumATK_MTP_Si_SiO2_2022()
calculator1 = TremoloXCalculator(parameters=potentialSet)

potentialSet = StillingerWeber_SiOCF_2005()
calculator2 = TremoloXCalculator(parameters=potentialSet)

for calculator in [calculator1, calculator2]:
    crystal_property_validation.setCalculator(calculator)
    nlsave('crystal_property_validation.hdf5', crystal_property_validation)