element(s):
['Ga']
AFLOW prototype label:
A_mC4_15_e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7913', '2.9000466', '1.53656', '129.558', '0.88421875']
model name:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.88421875 0.25      ]]
spacegroup =  15
cell =  [[2.7913, 0, 0], [0, 8.0949, 0], [-2.7314882631561, 0, 3.306734471989]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:30:14      -10.540065         1.349317
BFGS:    1 16:30:14      -10.570108         1.318560
BFGS:    2 16:30:14      -10.639241         1.196274
BFGS:    3 16:30:14      -10.695392         1.006019
BFGS:    4 16:30:15      -10.737416         0.748228
BFGS:    5 16:30:15      -10.765125         0.580787
BFGS:    6 16:30:15      -10.781226         0.766344
BFGS:    7 16:30:15      -10.793547         0.811783
BFGS:    8 16:30:15      -10.826215         0.791075
BFGS:    9 16:30:15      -10.855476         0.697149
BFGS:   10 16:30:15      -10.879997         0.555549
BFGS:   11 16:30:15      -10.900362         0.397478
BFGS:   12 16:30:15      -10.914901         0.287197
BFGS:   13 16:30:15      -10.925856         0.276338
BFGS:   14 16:30:16      -10.935078         0.215139
BFGS:   15 16:30:16      -10.943183         0.288085
BFGS:   16 16:30:16      -10.950305         0.343492
BFGS:   17 16:30:16      -10.957651         0.365127
BFGS:   18 16:30:16      -10.964320         0.337406
BFGS:   19 16:30:16      -10.970340         0.262276
BFGS:   20 16:30:16      -10.974543         0.177425
BFGS:   21 16:30:16      -10.977698         0.109001
BFGS:   22 16:30:17      -10.979614         0.050672
BFGS:   23 16:30:17      -10.980290         0.027022
BFGS:   24 16:30:17      -10.980446         0.022122
BFGS:   25 16:30:17      -10.980472         0.021082
BFGS:   26 16:30:17      -10.980494         0.019607
BFGS:   27 16:30:17      -10.980543         0.015120
BFGS:   28 16:30:18      -10.980604         0.012291
BFGS:   29 16:30:18      -10.980651         0.007703
BFGS:   30 16:30:18      -10.980664         0.002460
BFGS:   31 16:30:18      -10.980665         0.000304
BFGS:   32 16:30:18      -10.980665         0.000020
BFGS:   33 16:30:18      -10.980665         0.000002
BFGS:   34 16:30:18      -10.980665         0.000000
BFGS:   35 16:30:18      -10.980665         0.000000
Minimization converged after 35 steps.
Maximum force component: 3.994665660755904e-09 eV/Angstrom
Maximum stress component: 3.9603576999017944e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.         0.88155648 0.25      ]
 [0.5        0.38155648 0.25      ]
 [1.         0.11844352 0.75      ]
 [0.5        0.61844352 0.75      ]]
cellpar =  Cell([[2.7683482867113645, -5.232565396261521e-19, -0.026147138919431764], [-1.4630945930056075e-18, 9.157391885290691, -6.149657183702196e-18], [-2.7411801319393705, -2.2222427185898825e-18, 2.902596204470721]])
forces =  [[-6.38235625e-28  3.99466566e-09 -2.68262238e-27]
 [-6.38201502e-28  3.99466566e-09 -2.68262270e-27]
 [ 6.38176329e-28 -3.99466566e-09  2.68266726e-27]
 [ 6.38184608e-28 -3.99466566e-09  2.68264059e-27]]
stress =  [ 3.96035770e-10  1.13089490e-10  2.04663045e-10 -8.34114336e-29
  3.18501850e-11 -7.95459691e-29]
energy per atom =  -2.7451662742371563
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC4_15_e, while relaxed is A_oC4_63_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.