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output6.log
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acsf_model(name='t6',
num_molecules=100000,
acsf_Gs=acsf_Gs(G2_params=[(0.4, 0.2), (0.6, 0.2)],
G4_params=[(0.4, 2, 1), (0.6, 2, 1), (0.6, 2, -1)],
Rc=5.0),
paths=paths(data_path='data/t3.pkl',
model_path='results/t6',
plot_path='plots/t6',
linear_model='results/t6_linear'),
results=results(avg_dif=0, mae=0, max_d=0),
nn_props=nn_props(nodes=[64, 64, 32, 1],
batch_size=32,
epochs=400,
learning_rate=0.001))
found data at data/t3.pkl
Number of Molecules: 100000
RMSE of least squares fitting: 11.223900352298045
MAE of least squares fitting : 8.306690234500989
starting training...
Epoch, Training E, Validation E Estimated Time Left
1, 1.121850e+02, 1.051058e+02 29.96 Hours
2, 9.754089e+01, 9.088838e+01 29.90 Hours
3, 8.449258e+01, 8.074606e+01 29.83 Hours
4, 7.602212e+01, 7.296198e+01 29.76 Hours
5, 6.991411e+01, 6.720493e+01 29.68 Hours
6, 6.472224e+01, 6.236893e+01 29.61 Hours
7, 6.146434e+01, 6.008302e+01 29.53 Hours
8, 5.922472e+01, 5.824717e+01 29.46 Hours
9, 5.746361e+01, 5.737049e+01 29.39 Hours
10, 5.599462e+01, 5.619161e+01 29.32 Hours
11, 5.462523e+01, 5.489037e+01 29.25 Hours
12, 5.340107e+01, 5.476340e+01 29.18 Hours
13, 5.230929e+01, 5.462410e+01 29.11 Hours
14, 5.129880e+01, 5.385838e+01 29.03 Hours
15, 5.044395e+01, 5.227823e+01 28.96 Hours
16, 4.964535e+01, 5.165852e+01 28.89 Hours
17, 4.889201e+01, 5.035847e+01 28.81 Hours
18, 4.828724e+01, 4.944240e+01 28.74 Hours
19, 4.770106e+01, 4.812984e+01 28.67 Hours
20, 4.708605e+01, 4.698603e+01 28.60 Hours
21, 4.654050e+01, 4.705273e+01 28.52 Hours
22, 4.598981e+01, 4.609502e+01 28.45 Hours
23, 4.551171e+01, 4.520619e+01 28.37 Hours
24, 4.491509e+01, 4.470725e+01 28.30 Hours
25, 4.448457e+01, 4.392802e+01 28.23 Hours
26, 4.400321e+01, 4.350960e+01 28.15 Hours
27, 4.356155e+01, 4.310548e+01 28.08 Hours
28, 4.318791e+01, 4.269110e+01 28.01 Hours
29, 4.272978e+01, 4.257077e+01 27.93 Hours
30, 4.241140e+01, 4.196897e+01 27.86 Hours
31, 4.201927e+01, 4.213308e+01 27.79 Hours
32, 4.170287e+01, 4.085238e+01 27.71 Hours
33, 4.133072e+01, 4.077257e+01 27.64 Hours
34, 4.099653e+01, 4.084610e+01 27.56 Hours
35, 4.072030e+01, 4.108434e+01 27.49 Hours
36, 4.039743e+01, 4.081593e+01 27.41 Hours
37, 4.014014e+01, 3.966319e+01 27.34 Hours
38, 3.995588e+01, 3.957845e+01 27.26 Hours
39, 3.975416e+01, 3.921179e+01 27.19 Hours
40, 3.946585e+01, 3.952291e+01 27.11 Hours
41, 3.910559e+01, 3.865215e+01 27.04 Hours
42, 3.897090e+01, 3.868039e+01 26.96 Hours
43, 3.873025e+01, 3.819365e+01 26.89 Hours
44, 3.854921e+01, 3.845147e+01 26.81 Hours
45, 3.832104e+01, 3.819911e+01 26.74 Hours
46, 3.817683e+01, 3.732867e+01 26.66 Hours
47, 3.800954e+01, 3.753900e+01 26.59 Hours
48, 3.782685e+01, 3.819183e+01 26.52 Hours
49, 3.759625e+01, 3.711009e+01 26.44 Hours
50, 3.744797e+01, 3.714830e+01 26.37 Hours
51, 3.732063e+01, 3.668400e+01 26.29 Hours
52, 3.712520e+01, 3.645312e+01 26.22 Hours
53, 3.697529e+01, 3.645449e+01 26.15 Hours
54, 3.670069e+01, 3.629918e+01 26.07 Hours
55, 3.668975e+01, 3.602721e+01 26.00 Hours
56, 3.643770e+01, 3.599628e+01 25.92 Hours
57, 3.623772e+01, 3.577937e+01 25.85 Hours
58, 3.610037e+01, 3.490397e+01 25.77 Hours
59, 3.589457e+01, 3.523602e+01 25.70 Hours
60, 3.566145e+01, 3.515424e+01 25.63 Hours
61, 3.557200e+01, 3.475866e+01 25.55 Hours
62, 3.536952e+01, 3.506792e+01 25.48 Hours
63, 3.521019e+01, 3.484496e+01 25.40 Hours
64, 3.499717e+01, 3.481367e+01 25.33 Hours
65, 3.477943e+01, 3.480068e+01 25.25 Hours
66, 3.473914e+01, 3.440679e+01 25.18 Hours
67, 3.449249e+01, 3.466332e+01 25.10 Hours
68, 3.424596e+01, 3.413922e+01 25.03 Hours
69, 3.423903e+01, 3.418340e+01 24.96 Hours
70, 3.398731e+01, 3.361174e+01 24.88 Hours
71, 3.375559e+01, 3.327253e+01 24.81 Hours
72, 3.366866e+01, 3.320420e+01 24.73 Hours
73, 3.348866e+01, 3.302549e+01 24.66 Hours
74, 3.334775e+01, 3.300199e+01 24.58 Hours
75, 3.316619e+01, 3.277596e+01 24.51 Hours
76, 3.311927e+01, 3.306851e+01 24.43 Hours
77, 3.290262e+01, 3.277137e+01 24.36 Hours
78, 3.285333e+01, 3.275787e+01 24.28 Hours
79, 3.265202e+01, 3.290999e+01 24.21 Hours
80, 3.245557e+01, 3.268695e+01 24.13 Hours
81, 3.230074e+01, 3.257447e+01 24.06 Hours
82, 3.220264e+01, 3.216227e+01 23.98 Hours
83, 3.209437e+01, 3.213914e+01 23.91 Hours
84, 3.191538e+01, 3.246538e+01 23.84 Hours
85, 3.180216e+01, 3.196921e+01 23.76 Hours
86, 3.176711e+01, 3.184284e+01 23.69 Hours
87, 3.160098e+01, 3.210862e+01 23.61 Hours
88, 3.154253e+01, 3.183735e+01 23.54 Hours
89, 3.141156e+01, 3.139145e+01 23.46 Hours
90, 3.130486e+01, 3.165692e+01 23.39 Hours
91, 3.119994e+01, 3.178913e+01 23.31 Hours
92, 3.109271e+01, 3.143384e+01 23.24 Hours
93, 3.100987e+01, 3.148451e+01 23.16 Hours
94, 3.083195e+01, 3.118081e+01 23.09 Hours
95, 3.075826e+01, 3.100426e+01 23.01 Hours
96, 3.066016e+01, 3.100089e+01 22.94 Hours
97, 3.057020e+01, 3.126779e+01 22.86 Hours
98, 3.053540e+01, 3.074187e+01 22.79 Hours
99, 3.045583e+01, 3.067142e+01 22.71 Hours
100, 3.040182e+01, 3.032379e+01 22.64 Hours
101, 3.024320e+01, 3.049299e+01 22.56 Hours
102, 3.021527e+01, 3.053197e+01 22.49 Hours
103, 3.008598e+01, 2.974955e+01 22.41 Hours
104, 2.999217e+01, 3.042689e+01 22.33 Hours
105, 2.996132e+01, 2.996533e+01 22.26 Hours
106, 2.981686e+01, 3.035830e+01 22.18 Hours
107, 2.969665e+01, 3.004885e+01 22.11 Hours
108, 2.959471e+01, 3.025417e+01 22.03 Hours
109, 2.961505e+01, 2.956687e+01 21.96 Hours
110, 2.938280e+01, 3.032306e+01 21.88 Hours
111, 2.936502e+01, 3.048184e+01 21.81 Hours
112, 2.934938e+01, 3.076120e+01 21.73 Hours
113, 2.923641e+01, 3.050569e+01 21.65 Hours
114, 2.920119e+01, 3.022300e+01 21.58 Hours
115, 2.897785e+01, 3.078009e+01 21.50 Hours
116, 2.915745e+01, 3.054827e+01 21.43 Hours
117, 2.893160e+01, 3.060486e+01 21.35 Hours
118, 2.883554e+01, 3.110036e+01 21.28 Hours
119, 2.870789e+01, 3.134989e+01 21.20 Hours
120, 2.878541e+01, 3.106833e+01 21.13 Hours
121, 2.861105e+01, 3.112904e+01 21.05 Hours
122, 2.849143e+01, 3.042561e+01 20.97 Hours
123, 2.851130e+01, 3.018962e+01 20.90 Hours
124, 2.833050e+01, 2.983617e+01 20.83 Hours
125, 2.828127e+01, 3.017951e+01 20.75 Hours
126, 2.822294e+01, 3.102292e+01 20.67 Hours
127, 2.816064e+01, 3.048358e+01 20.60 Hours
128, 2.802098e+01, 2.993671e+01 20.52 Hours
129, 2.791057e+01, 3.001824e+01 20.45 Hours
130, 2.781486e+01, 3.109041e+01 20.37 Hours
131, 2.774773e+01, 2.998401e+01 20.30 Hours
132, 2.765839e+01, 3.001715e+01 20.22 Hours
133, 2.759736e+01, 3.069334e+01 20.15 Hours
134, 2.750449e+01, 3.010807e+01 20.07 Hours
135, 2.742197e+01, 3.037490e+01 20.00 Hours
136, 2.739092e+01, 3.058310e+01 19.93 Hours
137, 2.734529e+01, 2.982318e+01 19.86 Hours
138, 2.722530e+01, 2.905378e+01 19.79 Hours
139, 2.711591e+01, 2.968324e+01 19.72 Hours
140, 2.703369e+01, 3.002958e+01 19.65 Hours
141, 2.694420e+01, 2.943889e+01 19.58 Hours
142, 2.691062e+01, 2.888001e+01 19.52 Hours
143, 2.685186e+01, 2.967908e+01 19.45 Hours
144, 2.680550e+01, 2.953510e+01 19.37 Hours
145, 2.676468e+01, 2.962099e+01 19.30 Hours
146, 2.664090e+01, 3.006557e+01 19.23 Hours
147, 2.661539e+01, 2.938714e+01 19.15 Hours
148, 2.651107e+01, 2.924403e+01 19.08 Hours
149, 2.653514e+01, 2.891374e+01 19.01 Hours
150, 2.641654e+01, 2.897424e+01 18.94 Hours
151, 2.636807e+01, 3.120868e+01 18.87 Hours
152, 2.634583e+01, 2.883618e+01 18.81 Hours
153, 2.627921e+01, 2.873511e+01 18.74 Hours
154, 2.617489e+01, 2.852088e+01 18.67 Hours
155, 2.625574e+01, 2.800829e+01 18.60 Hours
156, 2.624803e+01, 2.895660e+01 18.53 Hours
157, 2.610054e+01, 2.903701e+01 18.46 Hours
158, 2.610874e+01, 2.793866e+01 18.38 Hours
159, 2.610155e+01, 2.927414e+01 18.31 Hours
160, 2.596248e+01, 2.926736e+01 18.23 Hours
161, 2.584377e+01, 2.813921e+01 18.15 Hours
162, 2.586675e+01, 2.885796e+01 18.08 Hours
163, 2.574962e+01, 2.837970e+01 18.00 Hours
164, 2.577153e+01, 2.806252e+01 17.92 Hours
165, 2.568033e+01, 2.798515e+01 17.85 Hours
166, 2.574563e+01, 2.765755e+01 17.77 Hours
167, 2.558836e+01, 2.774794e+01 17.69 Hours
168, 2.556509e+01, 2.789011e+01 17.62 Hours
169, 2.545221e+01, 2.759145e+01 17.54 Hours
170, 2.539607e+01, 2.762652e+01 17.46 Hours
171, 2.533817e+01, 2.789839e+01 17.39 Hours
172, 2.527834e+01, 2.706910e+01 17.31 Hours
173, 2.523664e+01, 2.680737e+01 17.24 Hours
174, 2.529146e+01, 2.719328e+01 17.16 Hours
175, 2.516321e+01, 2.830128e+01 17.09 Hours
176, 2.518631e+01, 2.733071e+01 17.01 Hours
177, 2.496730e+01, 2.709732e+01 16.93 Hours
178, 2.489146e+01, 2.674123e+01 16.86 Hours
179, 2.488632e+01, 2.799951e+01 16.78 Hours
180, 2.481701e+01, 2.600381e+01 16.70 Hours
181, 2.476022e+01, 2.528607e+01 16.63 Hours
182, 2.465397e+01, 2.562326e+01 16.55 Hours
183, 2.481334e+01, 2.623606e+01 16.48 Hours
184, 2.469958e+01, 2.666783e+01 16.40 Hours
185, 2.464293e+01, 2.582049e+01 16.33 Hours
186, 2.453330e+01, 2.588218e+01 16.27 Hours
187, 2.461822e+01, 2.623330e+01 16.21 Hours
188, 2.441921e+01, 2.563394e+01 16.15 Hours
189, 2.442034e+01, 2.535303e+01 16.08 Hours
190, 2.447168e+01, 2.582086e+01 16.01 Hours
191, 2.435539e+01, 2.538063e+01 15.94 Hours
192, 2.428080e+01, 2.459099e+01 15.87 Hours
193, 2.422729e+01, 2.524700e+01 15.80 Hours
194, 2.421766e+01, 2.492606e+01 15.73 Hours
195, 2.417686e+01, 2.461841e+01 15.66 Hours
196, 2.413804e+01, 2.519095e+01 15.58 Hours
197, 2.418190e+01, 2.446030e+01 15.51 Hours
198, 2.409681e+01, 2.474538e+01 15.43 Hours
199, 2.404311e+01, 2.437154e+01 15.36 Hours
200, 2.404588e+01, 2.427561e+01 15.28 Hours
201, 2.403539e+01, 2.532579e+01 15.20 Hours
202, 2.397304e+01, 2.488734e+01 15.13 Hours
203, 2.385445e+01, 2.495739e+01 15.05 Hours
204, 2.390628e+01, 2.474252e+01 14.97 Hours
205, 2.385969e+01, 2.534139e+01 14.90 Hours
206, 2.377098e+01, 2.491649e+01 14.82 Hours
207, 2.384308e+01, 2.544591e+01 14.74 Hours
208, 2.387600e+01, 2.520654e+01 14.66 Hours
209, 2.358893e+01, 2.444143e+01 14.59 Hours
210, 2.363024e+01, 2.397218e+01 14.51 Hours
211, 2.379087e+01, 2.521062e+01 14.43 Hours
212, 2.363541e+01, 2.472962e+01 14.36 Hours
213, 2.350892e+01, 2.459636e+01 14.28 Hours
214, 2.355055e+01, 2.477028e+01 14.20 Hours
215, 2.351923e+01, 2.443654e+01 14.13 Hours
216, 2.342446e+01, 2.462051e+01 14.05 Hours
217, 2.341940e+01, 2.422155e+01 13.97 Hours
218, 2.336860e+01, 2.412939e+01 13.90 Hours
219, 2.340568e+01, 2.408431e+01 13.82 Hours
220, 2.331839e+01, 2.431634e+01 13.75 Hours
221, 2.321037e+01, 2.374647e+01 13.67 Hours
222, 2.321826e+01, 2.355669e+01 13.59 Hours
223, 2.317505e+01, 2.400462e+01 13.51 Hours
224, 2.320081e+01, 2.409047e+01 13.44 Hours
225, 2.323002e+01, 2.367982e+01 13.36 Hours
226, 2.308224e+01, 2.387362e+01 13.28 Hours
227, 2.311835e+01, 2.334789e+01 13.21 Hours
228, 2.293489e+01, 2.416476e+01 13.13 Hours
229, 2.312874e+01, 2.392470e+01 13.05 Hours
230, 2.307032e+01, 2.291332e+01 12.98 Hours
231, 2.284829e+01, 2.391962e+01 12.90 Hours
232, 2.296169e+01, 2.394997e+01 12.82 Hours
233, 2.290687e+01, 2.315863e+01 12.75 Hours
234, 2.282656e+01, 2.314515e+01 12.67 Hours
235, 2.273995e+01, 2.392386e+01 12.59 Hours
236, 2.277718e+01, 2.267277e+01 12.52 Hours
237, 2.269739e+01, 2.335921e+01 12.44 Hours
238, 2.272510e+01, 2.356779e+01 12.37 Hours
239, 2.276302e+01, 2.290024e+01 12.29 Hours
240, 2.264131e+01, 2.276416e+01 12.22 Hours
241, 2.277233e+01, 2.331349e+01 12.14 Hours
242, 2.261325e+01, 2.341968e+01 12.07 Hours
243, 2.264735e+01, 2.349732e+01 11.99 Hours
244, 2.254574e+01, 2.322256e+01 11.92 Hours
245, 2.260335e+01, 2.293742e+01 11.85 Hours
246, 2.249674e+01, 2.281897e+01 11.78 Hours
247, 2.245909e+01, 2.286180e+01 11.71 Hours
248, 2.245548e+01, 2.315900e+01 11.64 Hours
249, 2.239755e+01, 2.293444e+01 11.56 Hours
250, 2.240924e+01, 2.223895e+01 11.49 Hours
251, 2.243052e+01, 2.213985e+01 11.41 Hours
252, 2.235558e+01, 2.311004e+01 11.34 Hours
253, 2.237953e+01, 2.258791e+01 11.26 Hours
254, 2.217193e+01, 2.271130e+01 11.19 Hours
255, 2.230409e+01, 2.356933e+01 11.12 Hours
256, 2.220333e+01, 2.244763e+01 11.05 Hours
257, 2.237455e+01, 2.234996e+01 10.98 Hours
258, 2.213813e+01, 2.269945e+01 10.90 Hours
259, 2.212131e+01, 2.241589e+01 10.83 Hours
260, 2.215402e+01, 2.272911e+01 10.76 Hours
261, 2.198012e+01, 2.193561e+01 10.69 Hours
262, 2.208025e+01, 2.278094e+01 10.62 Hours
263, 2.199018e+01, 2.283336e+01 10.54 Hours
264, 2.204017e+01, 2.339261e+01 10.47 Hours
265, 2.198334e+01, 2.188076e+01 10.40 Hours
266, 2.186853e+01, 2.206963e+01 10.32 Hours
267, 2.201079e+01, 2.198184e+01 10.25 Hours
268, 2.206789e+01, 2.219634e+01 10.18 Hours
269, 2.191017e+01, 2.253354e+01 10.10 Hours
270, 2.210572e+01, 2.210113e+01 10.03 Hours
271, 2.191513e+01, 2.240521e+01 9.95 Hours
272, 2.189191e+01, 2.183738e+01 9.88 Hours
273, 2.178977e+01, 2.315660e+01 9.81 Hours
274, 2.170875e+01, 2.267586e+01 9.73 Hours
275, 2.196706e+01, 2.220281e+01 9.66 Hours
276, 2.177126e+01, 2.216266e+01 9.58 Hours
277, 2.191711e+01, 2.186638e+01 9.51 Hours
278, 2.183049e+01, 2.265368e+01 9.43 Hours
279, 2.160420e+01, 2.299651e+01 9.36 Hours
280, 2.153346e+01, 2.289582e+01 9.29 Hours
281, 2.155288e+01, 2.274442e+01 9.21 Hours
282, 2.164617e+01, 2.205310e+01 9.14 Hours
283, 2.143876e+01, 2.298058e+01 9.06 Hours
284, 2.151701e+01, 2.165763e+01 8.99 Hours
285, 2.162661e+01, 2.145744e+01 8.91 Hours
286, 2.154173e+01, 2.206265e+01 8.84 Hours
287, 2.153398e+01, 2.193839e+01 8.76 Hours
288, 2.156942e+01, 2.182781e+01 8.69 Hours
289, 2.157283e+01, 2.241892e+01 8.61 Hours
290, 2.141322e+01, 2.141778e+01 8.53 Hours
291, 2.141475e+01, 2.213469e+01 8.46 Hours
292, 2.151519e+01, 2.225258e+01 8.38 Hours
293, 2.135927e+01, 2.164390e+01 8.31 Hours
294, 2.144571e+01, 2.216023e+01 8.23 Hours
295, 2.129014e+01, 2.199746e+01 8.16 Hours
296, 2.131276e+01, 2.244330e+01 8.08 Hours
297, 2.149613e+01, 2.181181e+01 8.01 Hours
298, 2.129266e+01, 2.151458e+01 7.93 Hours
299, 2.133238e+01, 2.128844e+01 7.86 Hours
300, 2.126729e+01, 2.155182e+01 7.78 Hours
301, 2.110273e+01, 2.153613e+01 7.70 Hours
302, 2.139684e+01, 2.151808e+01 7.63 Hours
303, 2.121733e+01, 2.108408e+01 7.55 Hours
304, 2.110353e+01, 2.208354e+01 7.48 Hours
305, 2.124673e+01, 2.251502e+01 7.40 Hours
306, 2.115268e+01, 2.230102e+01 7.32 Hours
307, 2.104590e+01, 2.242982e+01 7.25 Hours
308, 2.109156e+01, 2.128653e+01 7.17 Hours
309, 2.119935e+01, 2.135355e+01 7.10 Hours
310, 2.114174e+01, 2.197840e+01 7.02 Hours
311, 2.105793e+01, 2.149522e+01 6.94 Hours
312, 2.100915e+01, 2.172380e+01 6.87 Hours
313, 2.107914e+01, 2.153309e+01 6.79 Hours
314, 2.097640e+01, 2.190083e+01 6.71 Hours
315, 2.104127e+01, 2.212827e+01 6.64 Hours
316, 2.094405e+01, 2.186132e+01 6.56 Hours
317, 2.097276e+01, 2.234723e+01 6.48 Hours
318, 2.081831e+01, 2.136361e+01 6.41 Hours
319, 2.078195e+01, 2.203043e+01 6.33 Hours
320, 2.090862e+01, 2.201995e+01 6.25 Hours
321, 2.079121e+01, 2.106883e+01 6.18 Hours
322, 2.064797e+01, 2.171380e+01 6.10 Hours
323, 2.077448e+01, 2.129717e+01 6.02 Hours
324, 2.076338e+01, 2.207366e+01 5.95 Hours
325, 2.079366e+01, 2.068059e+01 5.87 Hours
326, 2.055015e+01, 2.149851e+01 5.79 Hours
327, 2.056688e+01, 2.125303e+01 5.72 Hours
328, 2.068145e+01, 2.126760e+01 5.64 Hours
329, 2.058200e+01, 2.138058e+01 5.56 Hours
330, 2.082707e+01, 2.155743e+01 5.48 Hours
331, 2.065908e+01, 2.144402e+01 5.41 Hours
332, 2.051433e+01, 2.154144e+01 5.33 Hours
333, 2.052287e+01, 2.161834e+01 5.25 Hours
334, 2.055270e+01, 2.157715e+01 5.18 Hours
335, 2.052798e+01, 2.085958e+01 5.10 Hours
336, 2.072180e+01, 2.147528e+01 5.02 Hours
337, 2.047446e+01, 2.138435e+01 4.94 Hours
338, 2.052957e+01, 2.041054e+01 4.87 Hours
339, 2.033003e+01, 2.095287e+01 4.79 Hours
340, 2.057093e+01, 2.129426e+01 4.71 Hours
341, 2.045105e+01, 2.089905e+01 4.63 Hours
342, 2.030754e+01, 2.062512e+01 4.56 Hours
343, 2.043954e+01, 2.216466e+01 4.48 Hours
344, 2.034290e+01, 2.065111e+01 4.40 Hours
345, 2.031150e+01, 2.075942e+01 4.32 Hours
346, 2.041832e+01, 2.035237e+01 4.24 Hours
347, 2.040670e+01, 2.131686e+01 4.17 Hours
348, 2.029924e+01, 2.155914e+01 4.09 Hours
349, 2.027207e+01, 2.138764e+01 4.01 Hours
350, 2.036436e+01, 2.051027e+01 3.93 Hours
351, 2.017771e+01, 2.093277e+01 3.85 Hours
352, 2.024078e+01, 2.134579e+01 3.78 Hours
353, 2.023852e+01, 2.122488e+01 3.70 Hours
354, 2.028495e+01, 2.040931e+01 3.62 Hours
355, 2.017710e+01, 2.020620e+01 3.54 Hours
356, 2.010879e+01, 2.001148e+01 3.46 Hours
357, 2.008806e+01, 2.051840e+01 3.39 Hours
358, 2.012567e+01, 2.120688e+01 3.31 Hours
359, 2.013809e+01, 2.000317e+01 3.23 Hours
360, 1.993474e+01, 2.061889e+01 3.15 Hours
361, 2.002872e+01, 2.103770e+01 3.07 Hours
362, 1.997800e+01, 2.104715e+01 3.00 Hours
363, 2.006145e+01, 2.020338e+01 2.92 Hours
364, 2.008094e+01, 1.995559e+01 2.84 Hours
365, 1.994592e+01, 1.988509e+01 2.76 Hours
366, 1.989918e+01, 2.039449e+01 2.68 Hours
367, 2.001314e+01, 2.033140e+01 2.60 Hours
368, 1.984083e+01, 2.060660e+01 2.52 Hours
369, 1.984356e+01, 2.007835e+01 2.45 Hours
370, 1.982538e+01, 1.976207e+01 2.37 Hours
371, 1.992205e+01, 2.034614e+01 2.29 Hours
372, 1.980754e+01, 2.042257e+01 2.21 Hours
373, 1.988028e+01, 2.003955e+01 2.13 Hours
374, 1.990235e+01, 2.014354e+01 2.05 Hours
375, 1.977955e+01, 2.056961e+01 1.97 Hours
376, 1.983073e+01, 1.977178e+01 1.90 Hours
377, 1.979928e+01, 2.008834e+01 1.82 Hours
378, 1.969169e+01, 1.984487e+01 1.74 Hours
379, 1.989837e+01, 2.041007e+01 1.66 Hours
380, 1.968346e+01, 2.006328e+01 1.58 Hours
381, 1.973395e+01, 1.999061e+01 1.50 Hours
382, 1.964855e+01, 1.958113e+01 1.42 Hours
383, 1.964206e+01, 2.030787e+01 1.34 Hours
384, 1.966923e+01, 1.992926e+01 1.27 Hours
385, 1.956409e+01, 2.016941e+01 1.19 Hours
386, 1.962408e+01, 1.958146e+01 1.11 Hours
387, 1.954752e+01, 1.970131e+01 1.03 Hours
388, 1.954390e+01, 1.990072e+01 56.98 Minutes
389, 1.958695e+01, 1.955879e+01 52.24 Minutes
390, 1.948268e+01, 1.990593e+01 47.50 Minutes
391, 1.944983e+01, 2.047069e+01 42.75 Minutes
392, 1.955680e+01, 1.964201e+01 38.01 Minutes
393, 1.951072e+01, 1.987467e+01 33.26 Minutes
394, 1.944953e+01, 2.006896e+01 28.52 Minutes
395, 1.945871e+01, 2.019161e+01 23.77 Minutes
396, 1.937898e+01, 1.990597e+01 19.02 Minutes
397, 1.946284e+01, 1.976706e+01 14.26 Minutes
398, 1.937900e+01, 1.980598e+01 9.51 Minutes
399, 1.940192e+01, 1.954318e+01 4.76 Minutes
400, 1.932034e+01, 2.004703e+01 0.00 Seconds
Training time: 114155.57799911499
Avg. Differences = 0.4894 Hartrees
Mean Abs. Error = 3.1385 Hartrees
Max Error = 63.2991 Hartrees
results/t6.json