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{
    "@class": "Potential",
    "@module": "matgl.apps._pes_pyg",
    "@model_version": 3,
    "metadata": {
        "dataset": "MatPES-r2SCAN-2025.2"
    },
    "kwargs": {
        "model": {
            "@class": "TensorNet",
            "@module": "matgl.models._tensornet_pyg",
            "@model_version": 2,
            "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": 128,
                "ntypes_state": null,
                "dim_state_embedding": 0,
                "dim_state_feats": null,
                "include_state": false,
                "nblocks": 2,
                "num_rbf": 32,
                "max_n": 3,
                "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",
                "field": "node_feat",
                "is_intensive": false,
                "ntargets": 1,
                "use_warp": false,
                "niters_set2set": 3,
                "nlayers_set2set": 3
            }
        },
        "data_mean": "tensor(0.)",
        "data_std": "tensor(3.1563)",
        "element_refs": "tensor([ -1.1226,  -0.3264,  -0.7757,  -0.5551,  -1.1720,  -2.3715,  -4.4272,\n         -3.2208,  -2.2467,  -1.8759,  -2.4792,  -2.4601,  -3.1361,  -4.1042,\n         -5.5835,  -5.1176,  -4.8081,  -4.8155,  -5.1620,  -4.9644,  -7.3758,\n         -7.8935,  -9.3993, -11.5861, -11.6215,  -9.7512,  -8.0696,  -7.3389,\n         -6.9637,  -7.4430,  -8.6153, -10.0014, -11.8352, -11.7871, -11.9432,\n        -12.5313, -13.1690, -13.3079, -16.1772, -16.6864, -17.6851, -20.4363,\n        -19.6789, -18.3052, -18.3000, -18.7791, -18.4786, -19.0430, -20.1819,\n        -21.3641, -23.1477, -23.1499, -23.3107, -23.8042, -24.3370, -25.7295,\n        -25.7773, -26.7084, -28.0313, -30.1213, -31.8333, -34.2069, -37.5057,\n        -37.0964, -35.3633, -35.1880, -34.4916, -33.4559, -32.8742, -33.5067,\n        -33.7524, -38.7215, -40.4544, -43.4215, -45.0100, -44.9550, -45.2173,\n        -45.7835, -47.1755, -48.9105, -51.0973, -53.3368, -56.1998, -65.0857,\n        -67.2282, -70.1083, -74.3543, -78.2411, -82.9346], dtype=torch.float64)",
        "calc_forces": true,
        "calc_stresses": true,
        "calc_hessian": false,
        "calc_magmom": false,
        "calc_charge": false,
        "calc_repuls": false,
        "zbl_trainable": false,
        "debug_mode": false
    }
}