% Emacs should use -*- keyval -*- mode. atominfo: ( mass: ( unit = amu H = 1.007825037 He = 4.002603250 Li = 7.016004500 Be = 9.012182500 B = 11.009305300 C = 12.000000000 N = 14.003074008 O = 15.994914640 F = 18.998403250 Ne = 19.992439100 Na = 22.989769700 Mg = 23.985045000 Al = 26.981541300 Si = 27.976928400 P = 30.973763400 S = 31.972071800 Cl = 34.968852729 Ar = 39.962383100 K = 38.963707900 Ca = 39.962590700 Sc = 44.955913600 Ti = 47.947946700 V = 50.943962500 Cr = 51.940509700 Mn = 54.938046300 Fe = 55.934939300 Co = 58.933197800 Ni = 57.935347100 Cu = 62.929599200 Zn = 63.929145400 Ga = 68.925580900 Ge = 73.921178800 As = 74.921595500 Se = 79.916520500 Br = 78.918336100 Kr = 83.911506400 Rb = 85.4678 Sr = 87.6200 Y = 88.9059 Zr = 91.2200 Nb = 92.9064 Mo = 95.9400 Tc = 98.0000 Ru = 101.0700 Rh = 102.9055 Pd = 106.4000 Ag = 107.8680 Cd = 112.4100 In = 114.8200 Sn = 118.6900 Sb = 121.7500 Te = 127.6000 I = 126.9045 Xe = 131.3000 Cs = 132.9054 Ba = 137.3300 La = 138.9055 Ce = 140.1200 Pr = 140.9077 Nd = 144.2400 Pm = 145.0000 Sm = 150.4000 Eu = 151.9600 Gd = 157.2500 Tb = 158.9254 Dy = 162.5000 Ho = 164.9304 Er = 167.2600 Tm = 168.9342 Yb = 173.0400 Lu = 174.9670 Hf = 178.4900 Ta = 180.9479 W = 183.8500 Re = 186.2070 Os = 190.2000 Ir = 192.2200 Pt = 195.0900 Au = 196.9665 Hg = 200.5900 Tl = 204.3700 Pb = 207.2000 Bi = 208.9804 Po = 209.0000 At = 210.0000 Rn = 222.0000 Fr = 223.0000 Ra = 226.0254 Ac = 227.0278 Th = 232.0381 Pa = 231.0359 U = 238.0290 Np = 237.0482 Pu = 244.0000 Am = 243.0000 Cm = 247.0000 Bk = 247.0000 Cf = 251.0000 Es = 254.0000 Fm = 257.0000 Md = 258.0000 No = 259.0000 Lr = 260.0000 Rf = 260.0000 Ha = 260.0000 ) ip: ( unit = ev H = 13.5984 He = 24.5874 Li = 5.3917 Be = 9.3227 B = 8.2980 C = 11.2603 N = 14.5341 O = 13.6181 F = 17.4228 Ne = 21.5646 Na = 5.1391 Mg = 7.6462 Al = 5.9858 Si = 8.1517 P = 10.4867 S = 10.3600 Cl = 12.9676 Ar = 15.7596 K = 4.3407 Ca = 6.1132 Sc = 6.5615 Ti = 6.8281 V = 6.7462 Cr = 6.7665 Mn = 7.4340 Fe = 7.9024 Co = 7.8810 Ni = 7.6398 Cu = 7.7264 Zn = 9.3942 Ga = 5.9993 Ge = 7.8994 As = 9.7886 Se = 9.7524 Br = 11.8138 Kr = 13.9996 Rb = 4.1771 Sr = 5.6949 Y = 6.2171 Zr = 6.6339 Nb = 6.7589 Mo = 7.0924 Tc = 7.28 Ru = 7.3605 Rh = 7.4589 Pd = 8.3369 Ag = 7.5762 Cd = 8.9938 In = 5.7864 Sn = 7.3439 Sb = 8.6084 Te = 9.0096 I = 10.4513 Xe = 12.1298 Cs = 3.8939 Ba = 5.2117 La = 5.5769 Ce = 5.5387 Pr = 5.473 Nd = 5.5250 Pm = 5.582 Sm = 5.6436 Eu = 5.6704 Gd = 6.1501 Tb = 5.8638 Dy = 5.9389 Ho = 6.0215 Er = 6.1077 Tm = 6.1843 Yb = 6.2542 Lu = 5.4259 Hf = 6.8251 Ta = 7.5496 W = 7.8640 Re = 7.8335 Os = 8.4382 Ir = 8.9670 Pt = 8.9587 Au = 9.2255 Hg = 10.4375 Tl = 6.1082 Pb = 7.4167 Bi = 7.2856 Po = 8.417 % At = ? Rn = 10.7485 Fr = 4.0727 Ra = 5.2784 Ac = 5.17 Th = 6.3067 Pa = 5.89 U = 6.1941 Np = 6.2657 Pu = 6.0262 Am = 5.9738 Cm = 5.9915 Bk = 6.1979 Cf = 6.2817 Es = 6.42 Fm = 6.50 Md = 6.58 No = 6.65 Lr = 4.9 Rf = 6.0 ) atomic_radius: ( unit = angstrom H = 0.30 He = 0.93 Li = 1.52 Be = 1.12 B = 0.88 C = 0.77 N = 0.70 O = 0.66 F = 0.64 Ne = 1.31 Na = 1.86 Mg = 1.60 Al = 1.43 Si = 1.17 P = 1.10 S = 1.04 Cl = 0.99 Ar = 1.74 K = 2.31 Ca = 1.97 Sc = 1.60 Ti = 1.46 V = 1.31 Cr = 1.25 Mn = 1.29 Fe = 1.26 Co = 1.25 Ni = 1.24 Cu = 1.20 Zn = 1.33 Ga = 1.22 Ge = 1.22 As = 1.21 Se = 1.17 Br = 1.14 Kr = 1.89 Rb = 2.44 Sr = 2.15 Y = 1.62 Zr = 1.48 Nb = 1.48 Mo = 1.47 Tc = 1.47 Ru = 1.46 Rh = 1.45 Pd = 1.44 Ag = 1.53 Cd = 1.48 In = 1.44 Sn = 1.40 Sb = 1.41 Te = 1.37 I = 1.33 Xe = 2.09 Cs = 2.62 Ba = 2.17 La = 1.69 Ce = 0 Pr = 0 Nd = 0 Pm = 0 Sm = 0 Eu = 0 Gd = 0 Tb = 0 Dy = 0 Ho = 0 Er = 0 Tm = 0 Yb = 0 Lu = 0 Hf = 1.65 Ta = 1.62 W = 1.60 Re = 1.56 Os = 1.52 Ir = 1.48 Pt = 1.45 Au = 1.50 Hg = 1.49 Tl = 1.48 Pb = 1.75 Bi = 1.46 Po = 1.40 At = 1.40 Rn = 2.14 Fr = 2.70 Ra = 2.20 Ac = 0 Th = 0 Pa = 0 U = 0 Np = 0 Pu = 0 Am = 0 Cm = 0 Bk = 0 Cf = 0 Es = 0 Fm = 0 Md = 0 No = 0 Lr = 0 Rf = 0 Ha = 0 ) vdw_radius: ( unit = angstrom H = 1.20 He = 1.20 Li = 1.37 Be = 1.45 B = 1.45 C = 1.50 N = 1.50 O = 1.40 F = 1.35 Ne = 1.30 Na = 1.57 Mg = 1.36 Al = 1.24 Si = 2.10 P = 1.80 S = 1.75 Cl = 1.70 Ar = 0 K = 0 Ca = 0 Sc = 0 Ti = 0 V = 0 Cr = 0 Mn = 0 Fe = 0 Co = 0 Ni = 0 Cu = 0 Zn = 0 Ga = 0 Ge = 0 As = 0 Se = 0 Br = 2.30 Kr = 0 Rb = 0 Sr = 0 Y = 0 Zr = 0 Nb = 0 Mo = 0 Tc = 0 Ru = 0 Rh = 0 Pd = 0 Ag = 0 Cd = 0 In = 0 Sn = 2.15 Sb = 0 Te = 0 I = 2.15 Xe = 0 Cs = 0 Ba = 0 La = 0 Ce = 0 Pr = 0 Nd = 0 Pm = 0 Sm = 0 Eu = 0 Gd = 0 Tb = 0 Dy = 0 Ho = 0 Er = 0 Tm = 0 Yb = 0 Lu = 0 Hf = 0 Ta = 0 W = 0 Re = 0 Os = 0 Ir = 0 Pt = 0 Au = 0 Hg = 0 Tl = 0 Pb = 0 Bi = 0 Po = 0 At = 0 Rn = 0 Fr = 0 Ra = 0 Ac = 0 Th = 0 Pa = 0 U = 0 Np = 0 Pu = 0 Am = 0 Cm = 0 Bk = 0 Cf = 0 Es = 0 Fm = 0 Md = 0 No = 0 Lr = 0 Rf = 0 Ha = 0 ) bragg_radius: ( unit = angstrom H = 0.25 He = 0.20 Li = 1.45 Be = 1.05 B = 0.85 C = 0.70 N = 0.65 O = 0.60 F = 0.50 Ne = 0.45 Na = 1.80 Mg = 1.50 Al = 1.25 Si = 1.10 P = 1.00 S = 1.00 Cl = 1.00 Ar = 1.00 K = 2.20 Ca = 1.80 Sc = 1.60 Ti = 1.40 V = 1.35 Cr = 1.40 Mn = 1.40 Fe = 1.40 Co = 1.35 Ni = 1.35 Cu = 1.35 Zn = 1.35 Ga = 1.30 Ge = 1.25 As = 1.15 Se = 1.15 Br = 1.15 Kr = 0.00 Rb = 2.35 Sr = 2.00 Y = 1.80 Zr = 1.55 Nb = 1.45 Mo = 1.45 Tc = 1.35 Ru = 1.30 Rh = 1.35 Pd = 1.40 Ag = 1.60 Cd = 1.55 In = 1.55 Sn = 1.45 Sb = 1.45 Te = 1.40 I = 1.40 Xe = 0.00 Cs = 2.60 Ba = 2.15 La = 1.95 Ce = 1.85 Pr = 1.85 Nd = 1.85 Pm = 1.85 Sm = 1.85 Eu = 1.85 Gd = 1.80 Tb = 1.75 Dy = 1.75 Ho = 1.75 Er = 1.75 Tm = 1.75 Yb = 1.75 Lu = 1.75 Hf = 1.55 Ta = 1.45 W = 1.35 Re = 1.35 Os = 1.30 Ir = 1.35 Pt = 1.35 Au = 1.35 Hg = 1.50 Tl = 1.90 Pb = 1.80 Bi = 1.60 Po = 1.90 At = 0.00 Rn = 0.00 Fr = 0.00 Ra = 2.15 Ac = 1.95 Th = 1.80 Pa = 1.80 U = 1.75 Np = 1.75 Pu = 1.75 Am = 1.75 Cm = 0.00 Bk = 0.00 Cf = 0.00 Es = 0.00 Fm = 0.00 Md = 0.00 No = 0.00 Lr = 0.00 Rf = 0.00 Ha = 0.00 ) maxprob_radius: ( unit = bohr H = 1.0000 He = 0.5882 Li = 3.0769 Be = 2.0513 B = 1.5385 C = 1.2308 N = 1.0256 O = 0.8791 F = 0.7692 Ne = 0.6838 Na = 4.0909 Mg = 3.1579 Al = 2.5714 Si = 2.1687 P = 1.8750 S = 1.6514 Cl = 1.4754 Ar = 1.3333 K = 0 Ca = 0 Sc = 0 Ti = 0 V = 0 Cr = 0 Mn = 0 Fe = 0 Co = 0 Ni = 0 Cu = 0 Zn = 0 Ga = 0 Ge = 0 As = 0 Se = 0 Br = 0 Kr = 0 Rb = 0 Sr = 0 Y = 0 Zr = 0 Nb = 0 Mo = 0 Tc = 0 Ru = 0 Rh = 0 Pd = 0 Ag = 0 Cd = 0 In = 0 Sn = 0 Sb = 0 Te = 0 I = 0 Xe = 0 Cs = 0 Ba = 0 La = 0 Ce = 0 Pr = 0 Nd = 0 Pm = 0 Sm = 0 Eu = 0 Gd = 0 Tb = 0 Dy = 0 Ho = 0 Er = 0 Tm = 0 Yb = 0 Lu = 0 Hf = 0 Ta = 0 W = 0 Re = 0 Os = 0 Ir = 0 Pt = 0 Au = 0 Hg = 0 Tl = 0 Pb = 0 Bi = 0 Po = 0 At = 0 Rn = 0 Fr = 0 Ra = 0 Ac = 0 Th = 0 Pa = 0 U = 0 Np = 0 Pu = 0 Am = 0 Cm = 0 Bk = 0 Cf = 0 Es = 0 Fm = 0 Md = 0 No = 0 Lr = 0 Rf = 0 Ha = 0 ) rgb: ( default = [ 0.6 0.6 0.6 ] H = [ 0.95 0.95 0.95 ] C = [ 0.30 0.95 1.00 ] N = [ 0.15 0.15 0.98 ] O = [ 0.98 0.00 0.00 ] F = [ 0.00 0.90 0.00 ] Na = [ 0.55 0.60 0.60 ] Mg = [ 0.55 0.60 0.60 ] Al = [ 0.55 0.60 0.60 ] Si = [ 0.90 0.70 0.10 ] P = [ 0.90 0.20 0.70 ] S = [ 0.90 0.90 0.00 ] Cl = [ 0.00 0.90 0.00 ] K = [ 0.55 0.60 0.60 ] Ca = [ 0.55 0.60 0.60 ] Mn = [ 0.90 0.40 0.40 ] Fe = [ 0.90 0.25 0.10 ] Co = [ 0.55 0.60 0.60 ] Ni = [ 0.55 0.60 0.60 ] Cu = [ 0.80 0.20 0.15 ] Zn = [ 0.90 0.40 0.40 ] Br = [ 0.90 0.00 0.90 ] Rb = [ 0.55 0.60 0.60 ] I = [ 0.90 0.00 0.90 ] Pt = [ 0.90 0.25 0.10 ] Hg = [ 0.55 0.60 0.60 ] La = [ 0.55 0.60 0.60 ] Ce = [ 0.55 0.60 0.60 ] Pr = [ 0.55 0.60 0.60 ] Nd = [ 0.55 0.60 0.60 ] Pm = [ 0.55 0.60 0.60 ] Sm = [ 0.55 0.60 0.60 ] Eu = [ 0.55 0.60 0.60 ] Gd = [ 0.55 0.60 0.60 ] Tb = [ 0.55 0.60 0.60 ] Dy = [ 0.55 0.60 0.60 ] Ho = [ 0.55 0.60 0.60 ] Er = [ 0.55 0.60 0.60 ] Tm = [ 0.55 0.60 0.60 ] Yb = [ 0.55 0.60 0.60 ] Lu = [ 0.55 0.60 0.60 ] Tl = [ 0.55 0.60 0.60 ] X = [ 0.00 0.60 0.60 ] Sn = [ 0.00 0.60 0.60 ] ) )