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neural-parameters.json
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neural-parameters.json
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{"cutoff": 6.5,
"Gs": {"Au": [{"eta": 0.05, "type": "G2", "element": "Au"},
{"eta": 2.0, "type": "G2", "element": "Au"},
{"eta": 4.0, "type": "G2", "element": "Au"},
{"eta": 8.0, "type": "G2", "element": "Au"},
{"eta": 20.0, "type": "G2", "element": "Au"},
{"eta": 40.0, "type": "G2", "element": "Au"},
{"eta": 80.0, "type": "G2", "element": "Au"},
{"zeta": 1.0, "elements": ["Au", "Au"], "type": "G4", "gamma": 1.0, "eta": 0.005},
{"zeta": 1.0, "elements": ["Au", "Au"], "type": "G4", "gamma": -1.0, "eta": 0.005},
{"zeta": 2.0, "elements": ["Au", "Au"], "type": "G4", "gamma": 1.0, "eta": 0.005},
{"zeta": 2.0, "elements": ["Au", "Au"], "type": "G4", "gamma": -1.0, "eta": 0.005},
{"zeta": 4.0, "elements": ["Au", "Au"], "type": "G4", "gamma": 1.0, "eta": 0.005},
{"zeta": 4.0, "elements": ["Au", "Au"], "type": "G4", "gamma": -1.0, "eta": 0.005}]},
"fingerprints_tag": 1,
"hiddenlayers": {"Au": [4, 40]},
"descriptor": "Behler",
"activation": "tanh",
"variables": [0.98452050508262634, 1.2786812644582948, -2.2962203964606762, -2.6507674588413264, 1.6504714473947939, -1.9244792504876125, 8.1423156464392843, 13.049201304967109, -9.8074836515987496, -1.701018844930015, -1.810577098891464, -11.543308576578827, 9.8359310561485511, 2.3819832232322606, -4.4412775619449185, 2.7939957331325842, -3.5541576971406688, -0.56242359459159008, 1.995350779826967, -0.35754451268537024, 0.99212925395434193, -1.6287478691821771, 0.58093450031343863, -0.4846605642215015, -1.6903748377392118, 0.16265300325214385, -0.45023109341970524, -1.7719168447932476, 24.671989883545937, 30.819188494396229, 1.0662697956687306, -6.9772755970546809, 18.059573145413516, 47.669444957907928, 56.465645559476066, 9.3241019062482806, -20.457427145153943, -53.267998405165706, -67.509639483413892, -3.9822198301433529, -58.280993073314434, -78.955739762271648, -22.797812994088311, 23.331560575890443, 1.1141665324123065, 20.583400698674847, 47.370225208813068, 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"fingerprints_range": {"Au": [[0.0, 18.585949206307472],
[0.0, 10.364383113308692],
[0.0, 6.303260555910183],
[0.0, 2.8120124208391966],
[0.0, 0.513515319009634],
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[0.0, 0.0021031132027229302],
[0.0, 1041.3250384017833],
[0.0, 748.6344292656196],
[0.0, 768.8071314667674],
[0.0, 476.1165223306037],
[0.0, 524.0495152786156],
[0.0, 280.05458071066533]]},
"regression": "NeuralNetwork"}