import json from ase.data import chemical_symbols from ase.data import reference_states from random import randint with open('test_generator.json', 'w') as f: for element in chemical_symbols: kimnum = '{:012d}'.format(randint(0,10**12-1)) f.write(json.dumps({ 'symbol': element, 'lattice': 'hcp', 'kimnum': kimnum, }) + '\n')