element(s):
['Al', 'Mn']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5024']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Mn', 'Mn']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.5024, 0, 0], [0, 6.5024, 0], [0, 0, 6.5024]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:53:15      -92.337376        7.1557
BFGS:    1 13:53:15      -93.409418        7.1369
BFGS:    2 13:53:15      -94.478052        7.1102
BFGS:    3 13:53:15      -95.542055        7.0751
BFGS:    4 13:53:15      -96.600118        7.0309
BFGS:    5 13:53:15      -97.650838        6.9771
BFGS:    6 13:53:15      -98.692719        6.9129
BFGS:    7 13:53:15      -99.724158        6.8377
BFGS:    8 13:53:15     -100.743444        6.7507
BFGS:    9 13:53:15     -101.748749        6.6512
BFGS:   10 13:53:15     -102.738125        6.5382
BFGS:   11 13:53:15     -103.709488        6.4109
BFGS:   12 13:53:15     -104.662558        6.3105
BFGS:   13 13:53:15     -105.597494        6.1526
BFGS:   14 13:53:15     -106.507460        5.9773
BFGS:   15 13:53:15     -107.389770        5.7836
BFGS:   16 13:53:15     -108.241569        5.5703
BFGS:   17 13:53:15     -109.062730        5.3561
BFGS:   18 13:53:15     -109.847219        5.1000
BFGS:   19 13:53:15     -110.591531        4.8201
BFGS:   20 13:53:15     -111.292123        4.5235
BFGS:   21 13:53:15     -111.946120        4.1918
BFGS:   22 13:53:15     -112.548243        3.8316
BFGS:   23 13:53:15     -113.094523        3.4486
BFGS:   24 13:53:15     -113.580519        3.0258
BFGS:   25 13:53:16     -114.000553        2.5687
BFGS:   26 13:53:16     -114.349315        2.0751
BFGS:   27 13:53:16     -114.622315        1.5506
BFGS:   28 13:53:16     -114.812423        0.9771
BFGS:   29 13:53:16     -114.913255        0.3598
BFGS:   30 13:53:16     -114.928169        0.0213
BFGS:   31 13:53:16     -114.928220        0.0004
BFGS:   32 13:53:16     -114.928220        0.0000
BFGS:   33 13:53:16     -114.928220        0.0000
Minimization converged after 33 steps.
Maximum force component: 1.8041219209435142e-29 eV/Angstrom
Maximum stress component: 8.078767528781991e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.85492747e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.63161146e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.95597802e-49 0.00000000e+00]
 [1.85492747e-48 5.00000000e-01 1.95793375e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.901925770242457, 1.1354754277860863e-32, -6.724686496429888e-34], [3.120799114165828e-32, 5.901925770242457, 2.1757691893123813e-18], [2.377851127835484e-34, 2.1757691893123844e-18, 5.901925770242457]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.84979011e-31  5.14077752e-30 -1.39310221e-29]
 [-1.39431466e-30 -5.83187261e-30  1.80048458e-30]
 [ 9.94206973e-31  7.37168097e-30  5.43176492e-30]
 [-1.93991604e-30 -5.67425443e-30  1.80412192e-29]
 [ 7.95365578e-30  5.04378171e-30 -3.58884468e-30]
 [-4.40118452e-30 -3.64946706e-30  9.11760541e-30]
 [-6.01373974e-30 -6.17135792e-30 -6.15923344e-30]
 [ 3.54034678e-30  4.65579851e-30 -7.90515788e-30]]
stress =  [-8.07876753e-13 -8.07876753e-13 -8.07876753e-13 -3.97023782e-31
 -8.25676186e-34 -1.60643929e-51]
energy per atom =  -7.18301376956941
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0