element(s):
['Br']
AFLOW prototype label:
A_oI2_71_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.1935', '0.49988184', '0.35811496']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br']
representative atom coordinates =  [[0 0 0]]
spacegroup =  71
cell =  [[7.1935, 0, 0], [0, 2.5761, 0], [0, 0, 3.5959]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:23:17       16.352907        48.323070
BFGS:    1 17:23:18       13.989936        42.265737
BFGS:    2 17:23:19       11.820203        36.921208
BFGS:    3 17:23:19        9.891230        32.249219
BFGS:    4 17:23:20        8.197759        28.191316
BFGS:    5 17:23:21        6.716523        24.693381
BFGS:    6 17:23:21        5.420153        21.635891
BFGS:    7 17:23:22        4.291954        18.974344
BFGS:    8 17:23:23        3.309234        16.634262
BFGS:    9 17:23:23        2.454003        14.556376
BFGS:   10 17:23:24        1.711559        12.697814
BFGS:   11 17:23:24        1.069430        11.029898
BFGS:   12 17:23:25        0.516618         9.533964
BFGS:   13 17:23:26        0.043114         8.196994
BFGS:   14 17:23:26       -0.360650         7.014571
BFGS:   15 17:23:27       -0.702806         5.959388
BFGS:   16 17:23:28       -0.992223         5.052830
BFGS:   17 17:23:28       -1.235033         4.236755
BFGS:   18 17:23:29       -1.437607         3.531138
BFGS:   19 17:23:30       -1.605976         2.923715
BFGS:   20 17:23:30       -1.745408         2.403298
BFGS:   21 17:23:31       -1.860481         1.959622
BFGS:   22 17:23:32       -1.955152         1.583241
BFGS:   23 17:23:32       -2.032810         1.265443
BFGS:   24 17:23:33       -2.096324         0.998210
BFGS:   25 17:23:34       -2.148092         0.774204
BFGS:   26 17:23:34       -2.190085         0.586784
BFGS:   27 17:23:35       -2.223899         0.430035
BFGS:   28 17:23:36       -2.250801         0.398169
BFGS:   29 17:23:36       -2.271788         0.379526
BFGS:   30 17:23:37       -2.287635         0.353451
BFGS:   31 17:23:37       -2.298952         0.318772
BFGS:   32 17:23:38       -2.306233         0.272516
BFGS:   33 17:23:39       -2.310173         0.228116
BFGS:   34 17:23:39       -2.311690         0.182972
BFGS:   35 17:23:40       -2.313424         0.117145
BFGS:   36 17:23:40       -2.315162         0.065236
BFGS:   37 17:23:41       -2.315792         0.073073
BFGS:   38 17:23:42       -2.316047         0.076735
BFGS:   39 17:23:42       -2.316214         0.070654
BFGS:   40 17:23:43       -2.316423         0.056181
BFGS:   41 17:23:43       -2.316739         0.027577
BFGS:   42 17:23:44       -2.316943         0.009699
BFGS:   43 17:23:45       -2.316992         0.003994
BFGS:   44 17:23:45       -2.316996         0.000727
BFGS:   45 17:23:46       -2.316996         0.000077
BFGS:   46 17:23:47       -2.316996         0.000003
BFGS:   47 17:23:47       -2.316996         0.000000
BFGS:   48 17:23:48       -2.316996         0.000000
BFGS:   49 17:23:49       -2.316996         0.000000
Minimization converged after 49 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.540917226963772e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[6.625621975838723, 0.0, 0.0], [0.0, 4.685022227991355, 1.7969696760566408e-32], [0.0, -9.224553054699067e-32, 4.6850222293825885]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.39771519e-11 -5.54091723e-11 -1.26643985e-11 -8.41621265e-43
  0.00000000e+00  0.00000000e+00]
energy per atom =  -1.1584979756231402
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oI2_71_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.