element(s):
['Mn', 'Si']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6269']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Mn', 'Si']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.6269, 0, 0], [0, 5.6269, 0], [0, 0, 5.6269]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:34:32     -107.737719         8.121757
BFGS:    1 12:34:32     -108.882585         7.152572
BFGS:    2 12:34:33     -109.886253         6.238648
BFGS:    3 12:34:33     -110.756799         5.377126
BFGS:    4 12:34:34     -111.501875         4.565294
BFGS:    5 12:34:34     -112.128743         3.800580
BFGS:    6 12:34:35     -112.644655         3.083948
BFGS:    7 12:34:35     -113.055901         2.406207
BFGS:    8 12:34:35     -113.368526         1.768640
BFGS:    9 12:34:36     -113.588397         1.169164
BFGS:   10 12:34:36     -113.721081         0.605805
BFGS:   11 12:34:37     -113.771851         0.076689
BFGS:   12 12:34:37     -113.772713         0.002735
BFGS:   13 12:34:38     -113.772714         0.000013
BFGS:   14 12:34:38     -113.772714         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.297445608213063e-30 eV/Angstrom
Maximum stress component: 1.8618886838231215e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.40039880e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.30747129e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.61494258e-35]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.35009970e-49 2.35009970e-49]
 [1.88007976e-48 5.00000000e-01 0.00000000e+00]
 [1.10160923e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.822967988321759, -1.2774831217232104e-32, -1.2009544522918038e-32], [-1.823227314834e-32, 5.822967988321759, 2.886343976573912e-18], [5.523135074298283e-34, 2.886343976573911e-18, 5.822967988321759]])
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]
 [ 9.09132543e-31  2.82309579e-30  6.53439016e-31]
 [-3.94007278e-31 -3.53485088e-30  1.48332152e-30]
 [ 9.81279986e-31  2.48815222e-30  2.39245406e-31]
 [-4.78490812e-32 -4.29744561e-30  1.33977427e-30]
 [ 1.38762336e-30  3.20588844e-30 -9.56981625e-31]
 [-1.36668938e-30 -3.20588844e-30 -2.15320866e-31]
 [-1.19622703e-30 -3.24775639e-30 -1.41752903e-30]
 [ 8.50816476e-31  2.87094487e-30 -7.32689056e-32]
 [ 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]]
stress =  [-1.86188868e-10 -1.86188868e-10 -1.86188868e-10 -3.30295698e-26
 -1.21174267e-34 -5.60495169e-51]
energy per atom =  -7.110794643111413
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0