element(s):
['Te']
AFLOW prototype label:
A_oP4_55_g
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.1236', '0.49631724', '0.34973037', '0.12449164', '0.27231993']
model name:
SW_WangStroudMarkworth_1989_CdTe__MO_786496821446_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0.12449164 0.27231993 0.        ]]
spacegroup =  55
cell =  [[9.1236, 0, 0], [0, 4.5282, 0], [0, 0, 3.1908]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:57:25       -8.282278         0.537126
BFGS:    1 14:57:25       -8.297518         0.473082
BFGS:    2 14:57:25       -8.360912         0.197840
BFGS:    3 14:57:25       -8.369250         0.154197
BFGS:    4 14:57:25       -8.371659         0.163995
BFGS:    5 14:57:25       -8.383741         0.146360
BFGS:    6 14:57:25       -8.386243         0.072424
BFGS:    7 14:57:25       -8.386735         0.031239
BFGS:    8 14:57:25       -8.386842         0.032494
BFGS:    9 14:57:25       -8.387054         0.033891
BFGS:   10 14:57:25       -8.387314         0.040866
BFGS:   11 14:57:25       -8.387523         0.033843
BFGS:   12 14:57:25       -8.387589         0.021328
BFGS:   13 14:57:25       -8.387607         0.018688
BFGS:   14 14:57:25       -8.387623         0.016307
BFGS:   15 14:57:25       -8.387645         0.010798
BFGS:   16 14:57:25       -8.387662         0.010843
BFGS:   17 14:57:25       -8.387668         0.007890
BFGS:   18 14:57:25       -8.387670         0.005727
BFGS:   19 14:57:26       -8.387673         0.004787
BFGS:   20 14:57:26       -8.387678         0.006115
BFGS:   21 14:57:26       -8.387685         0.005782
BFGS:   22 14:57:26       -8.387690         0.003107
BFGS:   23 14:57:26       -8.387691         0.001003
BFGS:   24 14:57:26       -8.387691         0.000126
BFGS:   25 14:57:26       -8.387691         0.000007
BFGS:   26 14:57:26       -8.387691         0.000000
BFGS:   27 14:57:26       -8.387691         0.000000
BFGS:   28 14:57:26       -8.387691         0.000000
Minimization converged after 28 steps.
Maximum force component: 1.8433297987099254e-10 eV/Angstrom
Maximum stress component: 1.4269989413287563e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te']
basis =  [[1.25000000e-01 2.50000000e-01 7.03055968e-36]
 [8.75000000e-01 7.50000000e-01 1.47642094e-35]
 [3.75000000e-01 7.50000000e-01 0.00000000e+00]
 [6.25000000e-01 2.50000000e-01 0.00000000e+00]]
cellpar =  Cell([[8.944976981754072, 2.5636573089975546e-35, 0.0], [3.30830527789892e-35, 4.47248849051344, 0.0], [0.0, 0.0, 3.16252694047144]])
forces =  [[-1.84332980e-10  6.10959451e-11 -1.81678515e-61]
 [ 1.84332980e-10 -6.10959451e-11  0.00000000e+00]
 [ 1.84332980e-10  6.10959451e-11  0.00000000e+00]
 [-1.84332980e-10 -6.10959451e-11  1.09668818e-64]]
stress =  [ 1.18315881e-11 -6.07012480e-13 -1.42699894e-11  0.00000000e+00
  0.00000000e+00 -1.54050107e-34]
energy per atom =  -2.096922803091168
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oP4_55_g, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.