rename files

moha/rauk/affinity.json

@@ -0,0 +1,91 @@
+{
+    "H": 0.754195,
+    "He": -0.5,
+    "Li": 0.618049,
+    "Be": -0.5,
+    "B": 0.279723,
+    "C": 1.2621226,
+    "N": -0.07,
+    "O": 1.46111297,
+    "F": 3.4011898,
+    "Ne": -1.2,
+    "Na": 0.547926,
+    "Mg": -0.4,
+    "Al": 0.43283,
+    "Si": 1.3895212,
+    "P": 0.746609,
+    "S": 2.0771042,
+    "Cl": 3.612725,
+    "Ar": -1.0,
+    "K": 0.501459,
+    "Ca": 0.02455,
+    "Sc": 0.17938,
+    "Ti": 0.07554,
+    "V": 0.52766,
+    "Cr": 0.675928,
+    "Mn": -0.5,
+    "Fe": 0.153236,
+    "Co": 0.662255,
+    "Ni": 1.15716,
+    "Cu": 1.23578,
+    "Zn": -0.6,
+    "Ga": 0.301166,
+    "Ge": 1.2326764,
+    "As": 0.8048,
+    "Se": 2.0206047,
+    "Br": 3.363588,
+    "Kr": -1.0,
+    "Rb": 0.485916,
+    "Sr": 0.05206,
+    "Y": 0.31129,
+    "Zr": 0.43328,
+    "Nb": 0.91740,
+    "Mo": 0.74723,
+    "Tc": 0.55,
+    "Ru": 1.04627,
+    "Rh": 1.14289,
+    "Pd": 0.56214,
+    "Ag": 1.30447,
+    "Cd": -0.7,
+    "In": 0.38392,
+    "Sn": 1.1120702,
+    "Sb": 1.047401,
+    "Te": 1.9708757,
+    "I": 3.059052,
+    "Xe": -0.8,
+    "Cs": 0.4715983,
+    "Ba": 0.14462,
+    "La": 0.557546,
+    "Ce": 0.600160,
+    "Pr": 0.10923,
+    "Nd": 0.09749,
+    "Pm": 0.129,
+    "Sm": 0.162,
+    "Eu": 0.116,
+    "Gd": 0.212,
+    "Tb": 0.13131,
+    "Dy": 0.015,
+    "Ho": 0.338,
+    "Er": 0.312,
+    "Tm": 1.029,
+    "Yb": -0.02,
+    "Lu": 0.2388,
+    "Hf": 0.1780,
+    "Ta": 0.328859,
+    "W": 0.81626,
+    "Re": 0.060396,
+    "Os": 1.077661,
+    "Ir": 1.564057,
+    "Pt": 2.12510,
+    "Au": 2.308610,
+    "Hg": -0.5,
+    "Tl": 0.320053,
+    "Pb": 0.356721,
+    "Bi": 0.942362,
+    "Po": 1.4,
+    "At": 2.41578,
+    "Rn": -0.7,
+    "Fr": 0.486,
+    "Ra": 0.1,
+    "Ac": 0.35
+}