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 17:10:09       15.001779       11.1406
BFGS:    1 17:10:09       13.466860        9.6729
BFGS:    2 17:10:09       12.115877        8.5354
BFGS:    3 17:10:09       10.922536        7.7971
BFGS:    4 17:10:09        9.828358        7.1171
BFGS:    5 17:10:09        8.826347        6.4889
BFGS:    6 17:10:09        7.910178        5.9071
BFGS:    7 17:10:09        7.074121        5.3670
BFGS:    8 17:10:09        6.312971        4.8645
BFGS:    9 17:10:09        5.625842        4.3986
BFGS:   10 17:10:09        5.004502        3.9658
BFGS:   11 17:10:09        4.444538        3.6170
BFGS:   12 17:10:09        3.945083        3.3211
BFGS:   13 17:10:09        3.491365        3.0460
BFGS:   14 17:10:09        3.074020        2.7873
BFGS:   15 17:10:09        2.690949        2.5438
BFGS:   16 17:10:09        2.340225        2.3143
BFGS:   17 17:10:09        2.020068        2.0977
BFGS:   18 17:10:09        1.728839        1.8931
BFGS:   19 17:10:09        1.465018        1.7076
BFGS:   20 17:10:09        1.227197        1.5353
BFGS:   21 17:10:09        1.014070        1.3719
BFGS:   22 17:10:09        0.824421        1.2168
BFGS:   23 17:10:09        0.657121        1.0695
BFGS:   24 17:10:09        0.511118        0.9295
BFGS:   25 17:10:09        0.385432        0.7961
BFGS:   26 17:10:09        0.279156        0.6691
BFGS:   27 17:10:09        0.191779        0.5484
BFGS:   28 17:10:09        0.122480        0.4339
BFGS:   29 17:10:09        0.070269        0.3253
BFGS:   30 17:10:09        0.034195        0.2221
BFGS:   31 17:10:09        0.013327        0.1242
BFGS:   32 17:10:09        0.004642        0.0664
BFGS:   33 17:10:09        0.000596        0.0235
BFGS:   34 17:10:09        0.000001        0.0008
BFGS:   35 17:10:09        0.000000        0.0000
BFGS:   36 17:10:09        0.000000        0.0000
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