element(s):
['Li']
AFLOW prototype label:
A_cP4_213_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0068']
model name:
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.375 0.375 0.375]]
spacegroup =  213
cell =  [[4.0068, 0, 0], [0, 4.0068, 0], [0, 0, 4.0068]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:23:34       -5.038794        0.6417
BFGS:    1 14:23:34       -5.056238        0.6268
BFGS:    2 14:23:34       -5.144365        0.5491
BFGS:    3 14:23:34       -5.221251        0.4769
BFGS:    4 14:23:34       -5.287690        0.4098
BFGS:    5 14:23:34       -5.344429        0.3475
BFGS:    6 14:23:34       -5.392164        0.2897
BFGS:    7 14:23:34       -5.431547        0.2361
BFGS:    8 14:23:34       -5.463188        0.1864
BFGS:    9 14:23:34       -5.487658        0.1404
BFGS:   10 14:23:34       -5.505491        0.0979
BFGS:   11 14:23:34       -5.517184        0.0585
BFGS:   12 14:23:34       -5.523205        0.0222
BFGS:   13 14:23:34       -5.524279        0.0014
BFGS:   14 14:23:34       -5.524284        0.0000
BFGS:   15 14:23:34       -5.524284        0.0000
BFGS:   16 14:23:34       -5.524284        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.100503558559752e-33 eV/Angstrom
Maximum stress component: 1.2962528127493558e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li']
basis =  [[0.375 0.375 0.375]
 [0.125 0.625 0.875]
 [0.625 0.875 0.125]
 [0.875 0.125 0.625]]
cellpar =  Cell([[4.599638539138816, -2.4425144970348165e-32, -2.427375884355577e-34], [-1.7896903034648163e-32, 4.599638539138816, -4.345149678037922e-17], [9.555778930011234e-33, -4.3451496780379226e-17, 4.599638539138816]])
forces =  [[ 2.36228843e-33 -3.10050356e-33 -2.36228843e-33]
 [-2.65757448e-33  1.18114421e-33 -1.11579385e-50]
 [-2.36228843e-33  1.82533480e-34 -1.18114421e-33]
 [-1.18114421e-33  1.67369078e-50 -1.77171632e-33]]
stress =  [-1.29625281e-13 -1.29625281e-13 -1.29625281e-13  2.22080922e-29
  9.71005748e-35 -9.43130896e-51]
energy per atom =  -1.3810709489874147
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0