element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6513', '0.93471127']
model name:
TorchML_MACE_GuptaTadmorMartiniani_2024_Si__MO_781946209112_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:31:25       -4.937080         0.199457
BFGS:    1 18:32:57       -4.934987         0.353018
BFGS:    2 18:34:38       -4.926354         0.682372
BFGS:    3 18:36:06       -4.893992         1.279484
BFGS:    4 18:37:32       -4.769819         3.046050
BFGS:    5 18:38:58       -4.430286         7.599018
BFGS:    6 18:40:26       -3.992737         3.626643
BFGS:    7 18:41:54       -5.251904        70.073254
BFGS:    8 18:43:22       -3.975859         1.821249
BFGS:    9 18:44:45       -3.972234         0.973338
BFGS:   10 18:46:15       -3.970301         0.220241
BFGS:   11 18:47:40       -3.968998         0.739062
BFGS:   12 18:49:03       -3.957818         1.183377
BFGS:   13 18:50:29       -3.914925         1.927939
BFGS:   14 18:51:52       -3.765506         3.521089
BFGS:   15 18:53:16       -3.945180        74.650310
BFGS:   16 18:54:40       -3.601207         8.101376
BFGS:   17 18:56:04       -3.497955         9.283499
BFGS:   18 18:57:28       -3.717250        27.634178
BFGS:   19 18:58:52       -3.432653         5.666031
BFGS:   20 19:00:17       -3.425613         2.813783
BFGS:   21 19:01:41       -3.423320         0.195172
BFGS:   22 19:03:04       -3.423116         0.032457
BFGS:   23 19:04:25       -3.423113         0.002266
BFGS:   24 19:05:50       -3.423113         0.000068
BFGS:   25 19:07:14       -3.423113         0.000000
Minimization converged after 25 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.574711279547786e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7204524970857964, 8.079381562577855e-17, 1.5400551209662514e-34], [-1.3602262485428982, 2.3559809722651104, -8.574138219362977e-35], [-1.1889778403081815e-34, 4.714524648714646e-34, 1.9036698017050375]])
forces =  [[0. 0. 0.]]
stress =  [ 2.57471128e-10  2.57471128e-10  1.81189868e-10 -2.71269793e-44
  1.82822995e-44 -6.76781438e-26]
energy per atom =  1.8302291503050014
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0