element(s):
['Li']
AFLOW prototype label:
A_cI16_220_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8469', '0.24794728']
model name:
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.24794728 0.24794728 0.24794728]]
spacegroup =  220
cell =  [[6.8469, 0, 0], [0, 6.8469, 0], [0, 0, 6.8469]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:40:43      -26.347240         0.042374
BFGS:    1 15:40:43      -26.347324         0.042176
BFGS:    2 15:40:43      -26.352941         0.026089
BFGS:    3 15:40:43      -26.356017         0.010423
BFGS:    4 15:40:43      -26.356696         0.001408
BFGS:    5 15:40:43      -26.356696         0.001378
BFGS:    6 15:40:43      -26.356697         0.001350
BFGS:    7 15:40:44      -26.356701         0.001506
BFGS:    8 15:40:44      -26.356708         0.001912
BFGS:    9 15:40:44      -26.356724         0.002248
BFGS:   10 15:40:44      -26.356746         0.002032
BFGS:   11 15:40:44      -26.356763         0.001073
BFGS:   12 15:40:44      -26.356768         0.000230
BFGS:   13 15:40:44      -26.356769         0.000021
BFGS:   14 15:40:44      -26.356769         0.000003
BFGS:   15 15:40:44      -26.356769         0.000000
BFGS:   16 15:40:44      -26.356769         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.033242583679244e-10 eV/Angstrom
Maximum stress component: 1.8257051573658783e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.96782559e-10 5.00000000e-01 1.00000000e+00]
 [1.00000000e+00 3.96782463e-10 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 3.96782517e-10]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [1.00000000e+00 1.00000000e+00 1.00000000e+00]
 [5.00000000e-01 3.96782387e-10 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.96782517e-10]
 [3.96782559e-10 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[6.90450697980638, -2.2474036754092246e-32, -3.2435737795912776e-34], [2.721875522143611e-32, 6.904506979806379, 5.074282924419241e-19], [-4.2422198002337435e-33, 5.074282924419246e-19, 6.90450697980638]])
forces =  [[ 6.03324258e-10  6.03324258e-10  6.03324258e-10]
 [-6.03324258e-10 -6.03324258e-10  6.03324258e-10]
 [-6.03324258e-10  6.03324258e-10 -6.03324258e-10]
 [ 6.03324258e-10 -6.03324258e-10 -6.03324258e-10]
 [ 6.03324258e-10  6.03324258e-10  6.03324258e-10]
 [-6.03324258e-10 -6.03324258e-10  6.03324258e-10]
 [ 6.03324258e-10 -6.03324258e-10 -6.03324258e-10]
 [-6.03324258e-10  6.03324258e-10 -6.03324258e-10]
 [ 6.03324258e-10  6.03324258e-10  6.03324258e-10]
 [-6.03324258e-10 -6.03324258e-10  6.03324258e-10]
 [-6.03324258e-10  6.03324258e-10 -6.03324258e-10]
 [ 6.03324258e-10 -6.03324258e-10 -6.03324258e-10]
 [ 6.03324258e-10  6.03324258e-10  6.03324258e-10]
 [-6.03324258e-10 -6.03324258e-10  6.03324258e-10]
 [ 6.03324258e-10 -6.03324258e-10 -6.03324258e-10]
 [-6.03324258e-10  6.03324258e-10 -6.03324258e-10]]
stress =  [-1.82570516e-10 -1.82570516e-10 -1.82570516e-10 -4.03458024e-26
  2.83700541e-59  1.94010390e-58]
energy per atom =  -1.6472980624679214
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_cI16_220_c, while relaxed is A_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.