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 20:58:00      -25.073734         1.040967
BFGS:    1 20:58:01      -25.119421         1.007060
BFGS:    2 20:58:01      -25.261613         0.887352
BFGS:    3 20:58:01      -25.385170         0.758511
BFGS:    4 20:58:01      -25.488684         0.620020
BFGS:    5 20:58:02      -25.570671         0.471413
BFGS:    6 20:58:02      -25.629577         0.312180
BFGS:    7 20:58:02      -25.663766         0.141759
BFGS:    8 20:58:02      -25.672138         0.008933
BFGS:    9 20:58:03      -25.672171         0.000233
BFGS:   10 20:58:03      -25.672171         0.000000
BFGS:   11 20:58:03      -25.672171         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.2052685733983484e-31 eV/Angstrom
Maximum stress component: 4.395476918472956e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn']
basis =  [[0.00000000e+00 2.18141513e-33 1.82804250e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.79268315e-33]
 [5.00000000e-01 4.79268315e-33 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([[6.4295673568633545, -2.318600159261448e-33, -1.2089923773137964e-32], [-6.413180565304342e-33, 6.4295673568633545, 7.200367942583395e-17], [2.3116786301181483e-32, 7.200367942583393e-17, 6.4295673568633545]])
forces =  [[ 5.28336909e-32  1.38275675e-32  6.60421136e-32]
 [ 1.08969487e-31  2.06381605e-32 -1.17224752e-31]
 [-2.31147398e-32 -2.31147398e-32  1.08969487e-31]
 [-1.02365276e-31  1.98126341e-32 -1.20526857e-31]
 [ 3.99348406e-32  6.60421136e-32 -1.18050278e-31]
 [ 6.60421136e-32  6.60421136e-32  3.30210568e-32]
 [ 5.32464541e-32  1.32084227e-32  1.15573699e-32]
 [ 9.24589591e-32  1.32084227e-32  4.29273738e-32]]
stress =  [-4.39547692e-13 -4.39547692e-13 -4.39547692e-13  4.69778670e-30
  1.93077007e-61 -1.57021200e-61]
energy per atom =  -3.2090213231389235
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0