element(s):
['Sn']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7273']
model name:
MEAM_LAMMPS_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sn']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[6.7273, 0, 0], [0, 6.7273, 0], [0, 0, 6.7273]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:31:09      -25.073734         1.040967
BFGS:    1 15:31:09      -25.119421         1.007060
BFGS:    2 15:31:09      -25.261613         0.887352
BFGS:    3 15:31:09      -25.385170         0.758511
BFGS:    4 15:31:09      -25.488684         0.620020
BFGS:    5 15:31:09      -25.570671         0.471413
BFGS:    6 15:31:09      -25.629577         0.312180
BFGS:    7 15:31:09      -25.663766         0.141759
BFGS:    8 15:31:09      -25.672138         0.008933
BFGS:    9 15:31:09      -25.672171         0.000233
BFGS:   10 15:31:09      -25.672171         0.000000
BFGS:   11 15:31:09      -25.672171         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.8491791811043155e-31 eV/Angstrom
Maximum stress component: 4.3987825214285347e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn']
basis =  [[7.70371968e-34 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.429567356863354, 6.210806508583146e-34, 2.9427963207779036e-34], [-1.1348330860519598e-33, 6.429567356863354, 1.8495637264948353e-17], [1.3090351261375238e-32, 1.8495637264948334e-17, 6.429567356863354]])
forces =  [[ 3.30210568e-33  7.26463250e-32  2.64168454e-32]
 [-2.64168454e-32  2.64168454e-32 -3.40529648e-32]
 [-2.64168454e-32  7.92505363e-32 -5.28336909e-32]
 [-2.64168454e-32  3.30210568e-32  3.30210568e-32]
 [ 7.92505363e-32 -7.92505363e-32 -1.98126341e-32]
 [ 2.64168454e-32 -1.84917918e-31 -5.31944771e-49]
 [-1.32084227e-32 -1.05667382e-31  5.61357966e-32]
 [ 1.51880064e-64  5.36592173e-32  7.92505363e-32]]
stress =  [-4.39878252e-13 -4.39878252e-13 -4.39878252e-13  1.03323219e-28
  9.93884011e-34 -1.15158594e-49]
energy per atom =  -3.2090213231389204
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0