from scipy.constants import N_A def density(geom): a1 = 0 a2 = 0 a3 = 0 with open(geom, 'r') as f: for line in f: if "CRYST1" in line: arr = line.split() a1 = float(arr[1]) a2 = float(arr[2]) a3 = float(arr[3]) V = a1*a2*a3*10**-24 # Volume dalam cm^3 dens = mass/V # Massa jenis dalam g/cm^3 print("Density = {}".format(dens))