{
    "@class": "Potential",
    "@module": "matgl.apps._pes_pyg",
    "@model_version": 3,
    "metadata": null,
    "kwargs": {
        "model": {
            "@class": "CHGNet",
            "@module": "matgl.models._chgnet_pyg",
            "@model_version": 1,
            "init_args": {
                "element_types": [
                    "H",
                    "He",
                    "Li",
                    "Be",
                    "B",
                    "C",
                    "N",
                    "O",
                    "F",
                    "Ne",
                    "Na",
                    "Mg",
                    "Al",
                    "Si",
                    "P",
                    "S",
                    "Cl",
                    "Ar",
                    "K",
                    "Ca",
                    "Sc",
                    "Ti",
                    "V",
                    "Cr",
                    "Mn",
                    "Fe",
                    "Co",
                    "Ni",
                    "Cu",
                    "Zn",
                    "Ga",
                    "Ge",
                    "As",
                    "Se",
                    "Br",
                    "Kr",
                    "Rb",
                    "Sr",
                    "Y",
                    "Zr",
                    "Nb",
                    "Mo",
                    "Tc",
                    "Ru",
                    "Rh",
                    "Pd",
                    "Ag",
                    "Cd",
                    "In",
                    "Sn",
                    "Sb",
                    "Te",
                    "I",
                    "Xe",
                    "Cs",
                    "Ba",
                    "La",
                    "Ce",
                    "Pr",
                    "Nd",
                    "Pm",
                    "Sm",
                    "Eu",
                    "Gd",
                    "Tb",
                    "Dy",
                    "Ho",
                    "Er",
                    "Tm",
                    "Yb",
                    "Lu",
                    "Hf",
                    "Ta",
                    "W",
                    "Re",
                    "Os",
                    "Ir",
                    "Pt",
                    "Au",
                    "Hg",
                    "Tl",
                    "Pb",
                    "Bi",
                    "Ac",
                    "Th",
                    "Pa",
                    "U",
                    "Np",
                    "Pu"
                ],
                "dim_state_feats": null,
                "non_linear_bond_embedding": false,
                "non_linear_angle_embedding": false,
                "cutoff": 6.0,
                "threebody_cutoff": 3.0,
                "cutoff_exponent": 5,
                "max_f": 32,
                "learn_basis": false,
                "num_blocks": 5,
                "shared_bond_weights": "both",
                "final_mlp_type": "mlp",
                "final_hidden_dims": [
                    128,
                    128
                ],
                "final_dropout": 0.0,
                "pooling_operation": "sum",
                "readout_field": "atom_feat",
                "activation_type": "swish",
                "is_intensive": false,
                "num_targets": 1,
                "num_site_targets": 1,
                "task_type": "regression",
                "angle_update_hidden_dims": [],
                "atom_conv_hidden_dims": [
                    128
                ],
                "bond_conv_hidden_dims": [
                    128
                ],
                "bond_update_hidden_dims": [
                    128
                ],
                "conv_dropout": 0.0,
                "dim_angle_embedding": 128,
                "dim_atom_embedding": 128,
                "dim_bond_embedding": 128,
                "dim_state_embedding": null,
                "layer_bond_weights": null,
                "max_n": 63,
                "normalization": "layer",
                "normalize_hidden": false
            }
        },
        "data_mean": "tensor(0.)",
        "data_std": "tensor(3.2515)",
        "element_refs": "tensor([ -3.6867,  -1.9978,  -3.7186,  -3.3643,  -6.6234,  -8.4499,  -5.5657,\n         -6.9965,  -4.9662,  -0.0187,  -1.5531,  -1.6896,  -4.4992,  -6.0153,\n         -6.3834,  -4.9390,  -2.6428,  -0.0427,  -1.7198,  -5.0344,  -7.1726,\n         -9.6275,  -9.8038,  -9.5224,  -9.3022,  -7.7307,  -6.3933,  -4.3683,\n         -3.1376,  -0.9442,  -3.3615,  -4.5886,  -4.4786,  -4.1130,  -2.3407,\n          7.9289,  -1.5689,  -3.9607,  -8.6393,  -9.3327, -10.5867, -10.7636,\n         -8.6914,  -8.1344,  -6.6219,  -4.7359,  -1.0682,  -0.7805,  -2.6786,\n         -3.9057,  -3.9473,  -3.1972,  -1.8243,  11.1554,  -1.7597,  -5.2027,\n         -7.8053,  -7.3150,  -7.9745,  -8.8961,  -7.8314, -11.5431, -13.3298,\n        -15.1617, -11.3405, -10.4704,  -8.9142,  -8.1105,  -6.9612,  -4.9349,\n         -6.2312, -10.3309, -12.0231, -12.5809, -10.7719,  -9.5070,  -7.7026,\n         -5.5023,  -2.7198,   0.8658,  -1.7361,  -3.2330,  -3.5141,  -3.2480,\n         -8.0818,  -8.3339, -11.9343, -11.9106, -13.3325])",
        "calc_forces": true,
        "calc_stresses": true,
        "calc_hessian": false,
        "calc_magmom": true,
        "calc_charge": false,
        "calc_repuls": false,
        "zbl_trainable": false,
        "debug_mode": false
    }
}