Element_info:
  - symbol: H
    atomic_number: 0
    LCAO: 1
    mass: 1.0080000162
    potential: H_00PBE.usp
    spin: 0
    covalent_radius: 0.32
  - symbol: He
    atomic_number: 2
    LCAO: 1
    mass: 4.0029997826
    potential: He_00.usp
    spin: 0
    covalent_radius: 0.46
  - symbol: Li
    atomic_number: 3
    LCAO: 2
    mass: 6.9400000572
    potential: Li_00PBE.usp
    spin: 0
    covalent_radius: 1.33
  - symbol: Be
    atomic_number: 4
    LCAO: 2
    mass: 9.0120000839
    potential: Be_00PBE.usp
    spin: 0
    covalent_radius: 1.02
  - symbol: B
    atomic_number: 5
    LCAO: 2
    mass: 10.8100004196
    potential: B_00PBE.usp
    spin: 0
    covalent_radius: 0.85
  - symbol: C
    atomic_number: 6
    LCAO: 2
    mass: 12.0109996796
    potential: C_00PBE.usp
    spin: 0
    covalent_radius: 0.75
  - symbol: N
    atomic_number: 7
    LCAO: 2
    mass: 14.0069999695
    potential: N_00PBE.usp
    spin: 0
    covalent_radius: 0.71
  - symbol: O
    atomic_number: 8
    LCAO: 2
    mass: 15.9989995956
    potential: O_00PBE.usp
    spin: 0
    covalent_radius: 0.63
  - symbol: F
    atomic_number: 9
    LCAO: 2
    mass: 18.9979991913
    potential: F_00PBE.usp
    spin: 0
    covalent_radius: 0.64
  - symbol: Ne
    atomic_number: 10
    LCAO: 2
    mass: 20.1790008545
    potential: Ne_00.usp
    spin: 0
    covalent_radius: 0.67
  - symbol: Na
    atomic_number: 11
    LCAO: 4
    mass: 22.9899997711
    potential: Na_00PBE.usp
    spin: 0
    covalent_radius: 1.55
  - symbol: Mg
    atomic_number: 12
    LCAO: 3
    mass: 24.3050003052
    potential: Mg_00PW91.usp
    spin: 0
    covalent_radius: 1.39
  - symbol: Al
    atomic_number: 13
    LCAO: 2
    mass: 26.9820003510
    potential: Al_00PBE.usp
    spin: 0
    covalent_radius: 1.26
  - symbol: Si
    atomic_number: 14
    LCAO: 2
    mass: 28.0849990845
    potential: Si_00PBE.usp
    spin: 0
    covalent_radius: 1.16
  - symbol: P
    atomic_number: 15
    LCAO: 2
    mass: 30.9740009308
    potential: P_00PBE.usp
    spin: 0
    covalent_radius: 1.11
  - symbol: S
    atomic_number: 16
    LCAO: 2
    mass: 32.0600013733
    potential: S_00PBE.usp
    spin: 0
    covalent_radius: 1.03
  - symbol: Cl
    atomic_number: 17
    LCAO: 2
    mass: 35.4529991150
    potential: Cl_00PBE.usp
    spin: 0
    covalent_radius: 0.99
  - symbol: Ar
    atomic_number: 18
    LCAO: 2
    mass: 39.9480018616
    potential: Ar_00.usp
    spin: 0
    covalent_radius: 0.96
  - symbol: K
    atomic_number: 19
    LCAO: 4
    mass: 39.0979995728
    potential: K_00PBE.usp
    spin: 0
    covalent_radius: 1.96
  - symbol: Ca
    atomic_number: 20
    LCAO: 4
    mass: 40.0800018311
    potential: Ca_00PBE.usp
    spin: 0
    covalent_radius: 1.71
  - symbol: Sc
    atomic_number: 21
    LCAO: 5
    mass: 44.9560012817
    potential: Sc_00PBE.usp
    spin: 0
    covalent_radius: 1.48
  - symbol: Ti
    atomic_number: 22
    LCAO: 5
    mass: 47.9000015259
    potential: Ti_00PBE.usp
    spin: 0
    covalent_radius: 1.36
  - symbol: V
    atomic_number: 23
    LCAO: 5
    mass: 50.9410018921
    potential: V_00PBE.usp
    spin: 2
    covalent_radius: 1.34
  - symbol: Cr
    atomic_number: 24
    LCAO: 5
    mass: 51.9959983826
    potential: Cr_00PBE.usp
    spin: 3
    covalent_radius: 1.22
  - symbol: Mn
    atomic_number: 25
    LCAO: 3
    mass: 54.9379997253
    potential: Mn_00PBE.uspcc
    spin: 5
    covalent_radius: 1.19
  - symbol: Fe
    atomic_number: 26
    LCAO: 3
    mass: 55.8470001221
    potential: Fe_00PBE.uspcc
    spin: 4
    covalent_radius: 1.16
  - symbol: Co
    atomic_number: 27
    LCAO: 3
    mass: 58.9329986572
    potential: Co_00PBE.uspcc
    spin: 3
    covalent_radius: 1.11
  - symbol: Ni
    atomic_number: 28
    LCAO: 3
    mass: 58.7099990845
    potential: Ni_00PBE.uspcc
    spin: 2
    covalent_radius: 1.10
  - symbol: Cu
    atomic_number: 29
    LCAO: 3
    mass: 63.5460014343
    potential: Cu_00PBE.usp
    spin: 1
    covalent_radius: 1.12
  - symbol: Zn
    atomic_number: 30
    LCAO: 4
    mass: 65.3799972534
    potential: Zn_00PBE.usp
    spin: 0
    covalent_radius: 1.18
  - symbol: Ga
    atomic_number: 31
    LCAO: 4
    mass: 69.7350006104
    potential: Ga_00PBE.usp
    spin: 0
    covalent_radius: 1.24
  - symbol: Ge
    atomic_number: 32
    LCAO: 3
    mass: 72.5899963379
    potential: Ge_00PBE.usp
    spin: 0
    covalent_radius: 1.21
  - symbol: As
    atomic_number: 33
    LCAO: 3
    mass: 74.9219970703
    potential: As_00PBE.usp
    spin: 0
    covalent_radius: 1.21
  - symbol: Se
    atomic_number: 34
    LCAO: 3
    mass: 78.9599990845
    potential: Se_00.usp
    spin: 0
    covalent_radius: 1.16
  - symbol: Br
    atomic_number: 35
    LCAO: 3
    mass: 79.9039993286
    potential: Br_00PBE.usp
    spin: 0
    covalent_radius: 1.14
  - symbol: Kr
    atomic_number: 36
    LCAO: 3
    mass: 83.8000030518
    potential: Kr_00.usp
    spin: 0
    covalent_radius: 1.17
  - symbol: Rb
    atomic_number: 37
    LCAO: 4
    mass: 85.4680023193
    potential: Rb_00PBE.usp
    spin: 0
    covalent_radius: 2.1
  - symbol: Sr
    atomic_number: 38
    LCAO: 4
    mass: 87.6200027466
    potential: Sr_00PBE.usp
    spin: 0
    covalent_radius: 1.85
  - symbol: Y
    atomic_number: 39
    LCAO: 3
    mass: 88.90599823
    potential: Y_00PBE.uspcc
    spin: 0
    covalent_radius: 1.63
  - symbol: Zr
    atomic_number: 40
    LCAO: 5
    mass: 91.2200012207
    potential: Zr_00PBE.usp
    spin: 0
    covalent_radius: 1.54
  - symbol: Nb
    atomic_number: 41
    LCAO: 5
    mass: 92.90599823
    potential: Nb_00PBE.usp
    spin: 1
    covalent_radius: 1.47
  - symbol: Mo
    atomic_number: 42
    LCAO: 5
    mass: 95.9400024414
    potential: Mo_00PBE.usp
    spin: 2
    covalent_radius: 1.38
  - symbol: Tc
    atomic_number: 43
    LCAO: 5
    mass: 98.90599823
    potential: Tc_00PBE.usp
    spin: 3
    covalent_radius: 1.28
  - symbol: Ru
    atomic_number: 44
    LCAO: 5
    mass: 101.0699996948
    potential: Ru_00PBE.usp
    spin: 5
    covalent_radius: 1.25
  - symbol: Rh
    atomic_number: 45
    LCAO: 3
    mass: 102.90599823
    potential: Rh_00PBE.usp
    spin: 4
    covalent_radius: 1.25
  - symbol: Pd
    atomic_number: 46
    LCAO: 3
    mass: 106.4000015259
    potential: Pd_00PBE.usp
    spin: 2
    covalent_radius: 1.20
  - symbol: Ag
    atomic_number: 47
    LCAO: 3
    mass: 107.8679962158
    potential: Ag_00PBE.usp
    spin: 0
    covalent_radius: 1.28
  - symbol: Cd
    atomic_number: 48
    LCAO: 4
    mass: 112.4100036621
    potential: Cd_00PBE.usp
    spin: 0
    covalent_radius: 1.36
  - symbol: In
    atomic_number: 49
    LCAO: 4
    mass: 114.8199996948
    potential: In_00PBE.usp
    spin: 0
    covalent_radius: 1.42
  - symbol: Sn
    atomic_number: 50
    LCAO: 3
    mass: 118.6900024414
    potential: Sn_00PBE.usp
    spin: 0
    covalent_radius: 1.40
  - symbol: Sb
    atomic_number: 51
    LCAO: 3
    mass: 121.7500000000
    potential: Sb_00PBE.usp
    spin: 0
    covalent_radius: 1.40
  - symbol: Te
    atomic_number: 52
    LCAO: 3
    mass: 127.5999984741
    potential: Te_00PBE.usp
    spin: 0
    covalent_radius: 1.36
  - symbol: I
    atomic_number: 53
    LCAO: 3
    mass: 126.9039993286
    potential: I_00PBE.usp
    spin: 0
    covalent_radius: 1.33
  - symbol: Xe
    atomic_number: 54
    LCAO: 3
    mass: 131.3000030518
    potential: Xe_00.usp
    spin: 0
    covalent_radius: 1.31
  - symbol: Cs
    atomic_number: 55
    LCAO: 4
    mass: 132.9049987793
    potential: Cs_00PBE.usp
    spin: 0
    covalent_radius: 2.32
  - symbol: Ba
    atomic_number: 56
    LCAO: 4
    mass: 137.3300018311
    potential: Ba_00PBE.usp
    spin: 0
    covalent_radius: 1.96
  - symbol: La
    atomic_number: 57
    LCAO: 6
    mass: 138.9049987793
    potential: La_00PBE.usp
    spin: 0
    covalent_radius: 1.80
  - symbol: Ce
    atomic_number: 58
    LCAO: 6
    mass: 140.1199951172
    potential: Ce_00PBE.usp
    spin: 1
    covalent_radius: 1.63
  - symbol: Pr
    atomic_number: 59
    LCAO: 6
    mass: 140.9080047607
    potential: Pr_00.usp
    spin: 2
    covalent_radius: 1.76
  - symbol: Nd
    atomic_number: 60
    LCAO: 6
    mass: 144.2400054932
    potential: Nd_00.usp
    spin: 3
    covalent_radius: 1.74
  - symbol: Pm
    atomic_number: 61
    LCAO: 6
    mass: 147.0
    potential: Pm_00.usp
    spin: 4
    covalent_radius: 1.73
  - symbol: Sm
    atomic_number: 62
    LCAO: 6
    mass: 150.3999938965
    potential: Sm_00.usp
    spin: 5
    covalent_radius: 1.72
  - symbol: Eu
    atomic_number: 63
    LCAO: 6
    mass: 151.9600067139
    potential: Eu_00.usp
    spin: 6
    covalent_radius: 1.68
  - symbol: Gd
    atomic_number: 64
    LCAO: 6
    mass: 157.25
    potential: Gd_00.usp
    spin: 7
    covalent_radius: 1.69
  - symbol: Tb
    atomic_number: 65
    LCAO: 6
    mass: 158.9250030518
    potential: Tb_00.usp
    spin: 6
    covalent_radius: 1.68
  - symbol: Dy
    atomic_number: 66
    LCAO: 6
    mass: 162.5
    potential: Dy_00.usp
    spin: 5
    covalent_radius: 1.67
  - symbol: Ho
    atomic_number: 67
    LCAO: 6
    mass: 164.9299926758
    potential: Ho_00PBE.usp
    spin: 4
    covalent_radius: 1.66
  - symbol: Er
    atomic_number: 68
    LCAO: 6
    mass: 167.2599945068
    potential: Er_00.usp
    spin: 3
    covalent_radius: 1.65
  - symbol: Tm
    atomic_number: 69
    LCAO: 6
    mass: 168.9340057373
    potential: Tm_00.usp
    spin: 2
    covalent_radius: 1.64
  - symbol: Yb
    atomic_number: 70
    LCAO: 6
    mass: 173.0399932861
    potential: Yb_00PBE.usp
    spin: 1
    covalent_radius: 1.70
  - symbol: Lu
    atomic_number: 71
    LCAO: 4
    mass: 174.9700012207
    potential: Lu_00.usp
    spin: 0
    covalent_radius: 1.62
  - symbol: Hf
    atomic_number: 72
    LCAO: 3
    mass: 178.4900054932
    potential: Hf_00PBE.uspcc
    spin: 0
    covalent_radius: 1.52
  - symbol: Ta
    atomic_number: 73
    LCAO: 3
    mass: 180.9479980469
    potential: Ta_00PBE.usp
    spin: 1
    covalent_radius: 1.46
  - symbol: W
    atomic_number: 74
    LCAO: 5
    mass: 183.8500061035
    potential: W_00PBE.usp
    spin: 2
    covalent_radius: 1.37
  - symbol: Re
    atomic_number: 75
    LCAO: 5
    mass: 186.2070007324
    potential: Re_00PBE.usp
    spin: 3
    covalent_radius: 1.31
  - symbol: Os
    atomic_number: 76
    LCAO: 5
    mass: 190.1999969482
    potential: Os_00PBE.usp
    spin: 5
    covalent_radius: 1.29
  - symbol: Ir
    atomic_number: 77
    LCAO: 3
    mass: 192.2200012207
    potential: Ir_00PBE.usp
    spin: 4
    covalent_radius: 1.22
  - symbol: Pt
    atomic_number: 78
    LCAO: 3
    mass: 195.0899963379
    potential: Pt_00PBE.usp
    spin: 4
    covalent_radius: 1.23
  - symbol: Au
    atomic_number: 79
    LCAO: 3
    mass: 196.966003418
    potential: Au_00PBE.usp
    spin: 2
    covalent_radius: 1.24
  - symbol: Hg
    atomic_number: 80
    LCAO: 4
    mass: 200.5899963379
    potential: Hg_00PBE.usp
    spin: 0
    covalent_radius: 1.33
  - symbol: Tl
    atomic_number: 81
    LCAO: 4
    mass: 204.3699951172
    potential: Tl_00PBE.usp
    spin: 0
    covalent_radius: 1.44
  - symbol: Pb
    atomic_number: 82
    LCAO: 4
    mass: 207.1999969482
    potential: Pb_00PBE.usp
    spin: 0
    covalent_radius: 1.44
  - symbol: Bi
    atomic_number: 83
    LCAO: 3
    mass: 208.9799957275
    potential: Bi_00PBE.usp
    spin: 0
    covalent_radius: 1.51
  - symbol: Po
    atomic_number: 84
    LCAO: 3
    mass: 209.0000000000
    potential: Po_00.usp
    spin: 0
    covalent_radius: 1.45
  - symbol: At
    atomic_number: 85
    LCAO: 3
    mass: 210.0000000000
    potential: At_00.usp
    spin: 0
    covalent_radius: 1.47
  - symbol: Rn
    atomic_number: 86
    LCAO: 3
    mass: 222.0000000000
    potential: Rn_00.usp
    spin: 0
    covalent_radius: 1.42
  - symbol: Fr
    atomic_number: 87
    LCAO: 4
    mass: 223.0000000000
    potential: Fr_00.usp
    spin: 0
  - symbol: Ra
    atomic_number: 88
    LCAO: 4
    mass: 226.0000000000
    potential: Ra_00.usp
    spin: 0
    covalent_radius: 2.01
  - symbol: Ac
    atomic_number: 89
    LCAO: 4
    mass: 227.0000000000
    potential: Ac_00.recpot
    spin: 0
    covalent_radius: 1.86
  - symbol: Th
    atomic_number: 90
    LCAO: 6
    mass: 232.0379943848
    potential: Th_00.usp
    spin: 1
    covalent_radius: 1.75
  - symbol: Pa
    atomic_number: 91
    LCAO: 6
    mass: 231.0000000000
    potential: Pa_00.usp
    spin: 2
    covalent_radius: 1.69
  - symbol: U
    atomic_number: 92
    LCAO: 6
    mass: 238.0290069580
    potential: U_00PBE.usp
    spin: 3
    covalent_radius: 1.70
  - symbol: Np
    atomic_number: 93
    LCAO: 6
    mass: 237.0000000000
    potential: Np_00.usp
    spin: 4
    covalent_radius: 1.71
  - symbol: Pu
    atomic_number: 94
    LCAO: 6
    mass: 244.0000000000
    potential: Pu_00PBE.usp
    spin: 5
    covalent_radius: 1.72
  - symbol: Am
    atomic_number: 95
    LCAO: 6
    mass: 243.0000000000
    potential: Am_00.usp
    spin: 6
    covalent_radius: 1.66
  - symbol: Cm
    atomic_number: 96
    LCAO: 6
    mass: 247.0000000000
    potential: Cm_00PBE.usp
    spin: 7
    covalent_radius: 1.66
  - symbol: Bk
    atomic_number: 97
    LCAO: 6
    mass: 247.0000000000
    potential: Bk_00.usp
    spin: 6
  - symbol: Cf
    atomic_number: 98
    LCAO: 6
    mass: 251.0000000000
    potential: Cf_00.usp
    spin: 5
  - symbol: Es
    atomic_number: 99
    LCAO: 6
    mass: 252.0000000000
    potential: Es_00.usp
    spin: 4
  - symbol: Fm
    atomic_number: 100
    LCAO: 6
    mass: 257.0000000000
    potential: Fm_00.usp
    spin: 3
  - symbol: Md
    atomic_number: 101
    LCAO: 6
    mass: 258.0000000000
    potential: Md_00.usp
    spin: 2
  - symbol: No
    atomic_number: 102
    LCAO: 6
    mass: 259.0000000000
    potential: No_00.usp
    spin: 1
  - symbol: Lr
    atomic_number: 103
    LCAO: 5
    mass: 262.0000000000
    potential: Lr_00.usp
    spin: 0