{
    "@class": "Potential",
    "@module": "matgl.apps.pes",
    "@model_version": 3,
    "metadata": {
        "dataset": "MatQ"
    },
    "kwargs": {
        "model": {
            "@class": "QET",
            "@module": "matgl.models",
            "@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"
                ],
                "units": 64,
                "ntypes_state": null,
                "dim_state_embedding": 0,
                "dim_state_feats": null,
                "include_state": false,
                "nblocks": 3,
                "num_rbf": 32,
                "max_n": 9,
                "max_l": 3,
                "rbf_type": "SphericalBessel",
                "use_smooth": true,
                "activation_type": "swish",
                "cutoff": 5.0,
                "equivariance_invariance_group": "O(3)",
                "dtype": "torch.float32",
                "width": 0.5,
                "readout_type": "weighted_atom",
                "task_type": "regression",
                "niters_set2set": 3,
                "nlayers_set2set": 3,
                "field": "node_feat",
                "is_intensive": false,
                "ntargets": 1,
                "is_sigma_train": false,
                "is_hardness_envs": true,
                "include_magmom": false,
                "return_features": false
            }
        },
        "data_mean": "tensor(0.)",
        "data_std": "tensor(1.6909)",
        "element_refs": "tensor([-3.5281e+00, -8.7808e-11, -1.9537e+00, -2.9913e+00, -6.0278e+00,\n        -7.4050e+00, -7.7867e+00, -6.8388e+00, -4.6101e+00, -1.6128e-10,\n        -1.0529e+00, -1.3377e+00, -3.7258e+00, -5.2365e+00, -5.2901e+00,\n        -5.1271e+00, -2.8906e+00, -2.5143e-10, -7.7694e-01, -2.2972e+00,\n        -6.4618e+00, -7.8848e+00, -8.4645e+00, -8.1836e+00, -8.1447e+00,\n        -7.4940e+00, -6.4755e+00, -5.2968e+00, -3.1625e+00, -8.3700e-01,\n        -2.9360e+00, -4.4327e+00, -4.6906e+00, -4.2722e+00, -2.3356e+00,\n         5.3632e+00, -9.0118e-01, -1.9868e+00, -6.6585e+00, -8.5336e+00,\n        -9.2253e+00, -9.5702e+00, -8.9996e+00, -8.3030e+00, -7.0351e+00,\n        -5.2814e+00, -2.1045e+00, -3.8729e-01, -2.3067e+00, -3.8149e+00,\n        -4.0640e+00, -3.5171e+00, -1.7413e+00,  6.8076e+00, -1.0198e+00,\n        -2.3815e+00, -5.5347e+00, -6.8453e+00, -5.3180e+00, -5.4453e+00,\n        -5.3153e+00, -5.4808e+00, -1.2583e+01, -1.3186e+01, -5.0442e+00,\n        -5.2770e+00, -5.3792e+00, -5.2804e+00, -5.0316e+00, -5.3479e+00,\n        -5.1000e+00, -9.6677e+00, -1.0618e+01, -1.0603e+01, -1.0458e+01,\n        -9.4550e+00, -8.2867e+00, -6.0862e+00, -3.2633e+00,  2.3314e-01,\n        -1.8712e+00, -3.1449e+00, -3.5810e+00, -5.0483e+00, -8.2002e+00,\n        -1.0433e+01, -1.1942e+01, -1.3211e+01, -1.4421e+01])",
        "calc_forces": true,
        "calc_stresses": true,
        "calc_hessian": false,
        "calc_magmom": false,
        "calc_charge": true,
        "calc_repuls": false,
        "zbl_trainable": false,
        "debug_mode": false
    }
}