element(s):
['In']
AFLOW prototype label:
A_tI2_139_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:
['3.2972', '1.488839']
model name:
Sim_LAMMPS_Vashishta_BranicioRinoGan_2009_InP__SM_090647175366_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['In']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[3.2972, 0, 0], [0, 3.2972, 0], [0, 0, 4.909]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:32       15.001779        11.140611
BFGS:    1 09:47:32       13.466860         9.672930
BFGS:    2 09:47:32       12.115877         8.535352
BFGS:    3 09:47:32       10.922536         7.797097
BFGS:    4 09:47:32        9.828358         7.117072
BFGS:    5 09:47:32        8.826347         6.488903
BFGS:    6 09:47:32        7.910178         5.907119
BFGS:    7 09:47:32        7.074121         5.367004
BFGS:    8 09:47:32        6.312971         4.864467
BFGS:    9 09:47:32        5.625842         4.398602
BFGS:   10 09:47:32        5.004502         3.965836
BFGS:   11 09:47:32        4.444538         3.617004
BFGS:   12 09:47:32        3.945083         3.321085
BFGS:   13 09:47:32        3.491365         3.045964
BFGS:   14 09:47:32        3.074020         2.787326
BFGS:   15 09:47:32        2.690949         2.543846
BFGS:   16 09:47:32        2.340225         2.314341
BFGS:   17 09:47:32        2.020068         2.097750
BFGS:   18 09:47:32        1.728839         1.893117
BFGS:   19 09:47:32        1.465018         1.707641
BFGS:   20 09:47:32        1.227197         1.535291
BFGS:   21 09:47:32        1.014070         1.371895
BFGS:   22 09:47:32        0.824421         1.216831
BFGS:   23 09:47:32        0.657121         1.069528
BFGS:   24 09:47:32        0.511118         0.929458
BFGS:   25 09:47:32        0.385432         0.796134
BFGS:   26 09:47:32        0.279156         0.669098
BFGS:   27 09:47:32        0.191779         0.548417
BFGS:   28 09:47:32        0.122480         0.433928
BFGS:   29 09:47:32        0.070269         0.325259
BFGS:   30 09:47:32        0.034195         0.222091
BFGS:   31 09:47:32        0.013327         0.124180
BFGS:   32 09:47:32        0.004642         0.066445
BFGS:   33 09:47:32        0.000596         0.023476
BFGS:   34 09:47:32        0.000001         0.000764
BFGS:   35 09:47:32        0.000000         0.000009
BFGS:   36 09:47:32        0.000000         0.000000
Minimization converged after 36 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.066237167648714e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.999999993469049, 1.8009409584885988e-34, -1.0326897365806263e-31], [2.4535361717521264e-34, 5.999999993469048, 1.8288791620063523e-16], [-3.18287177439113e-32, 2.712408347098353e-16, 8.95821178038793]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.06623717e-11 -4.06623717e-11 -2.68425756e-43  3.06577711e-27
 -1.44474275e-43 -5.51724715e-59]
energy per atom =  0.0
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0