element(s):
['Sn']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['4.0868', '0.85281883']
Parameter values for parameter set 1:
['3.4699', '1.4037869']
model name:
Sim_LAMMPS_MEAM_VellaChenStillinger_2017_Sn__SM_629915663723_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sn']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[4.0868, 0, 0], [0, 4.0868, 0], [0, 0, 3.4853]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:00:33       -6.057757         0.828273
BFGS:    1 20:00:33       -6.079021         0.674792
BFGS:    2 20:00:33       -6.111187         0.358695
BFGS:    3 20:00:33       -6.113042         0.236948
BFGS:    4 20:00:33       -6.114712         0.188574
BFGS:    5 20:00:33       -6.124795         0.246301
BFGS:    6 20:00:34       -6.134397         0.286556
BFGS:    7 20:00:34       -6.142931         0.268838
BFGS:    8 20:00:34       -6.148478         0.168034
BFGS:    9 20:00:34       -6.149930         0.076493
BFGS:   10 20:00:34       -6.150380         0.009285
BFGS:   11 20:00:34       -6.150392         0.000467
BFGS:   12 20:00:34       -6.150392         0.000014
BFGS:   13 20:00:34       -6.150392         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1502313596321114e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.7914823900433294, 3.7999215399261313e-34, -2.3975796865416555e-34], [-5.675527143914179e-35, 3.7914823900433285, -2.7221965704488468e-17], [-1.0299404917431503e-32, -2.5914257051168867e-17, 3.7914823925599825]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.79380012e-11  1.79380012e-11  1.15023136e-10  1.42739622e-26
 -4.28718651e-34 -4.60248313e-50]
energy per atom =  -3.0751959718689843
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sn']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[3.4699, 0, 0], [0, 3.4699, 0], [0, 0, 4.871]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:00:47       -6.073100         0.724216
BFGS:    1 20:00:47       -6.093001         0.562081
BFGS:    2 20:00:47       -6.119403         0.092564
BFGS:    3 20:00:47       -6.120014         0.011648
BFGS:    4 20:00:48       -6.120020         0.002725
BFGS:    5 20:00:48       -6.120020         0.002501
BFGS:    6 20:00:48       -6.120025         0.006328
BFGS:    7 20:00:48       -6.120036         0.014583
BFGS:    8 20:00:48       -6.120075         0.057321
BFGS:    9 20:00:48       -6.120132         0.051789
BFGS:   10 20:00:48       -6.120738         0.033478
BFGS:   11 20:00:48       -6.120833         0.010471
BFGS:   12 20:00:49       -6.120873         0.006658
BFGS:   13 20:00:49       -6.120876         0.000339
BFGS:   14 20:00:49       -6.120876         0.000006
BFGS:   15 20:00:49       -6.120876         0.000002
BFGS:   16 20:00:49       -6.120876         0.000000
BFGS:   17 20:00:49       -6.120876         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3547696540188639e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.4925113034614275, -3.231404104074698e-36, 3.6469636291919816e-33], [-5.378809107224547e-36, 3.4925113034614275, -1.028498668911721e-17], [-9.71960215962701e-33, 4.3040750588608494e-16, 4.512415496700348]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.35476965e-11 1.35476965e-11 1.05638496e-11 5.61511045e-27
 3.91060149e-34 1.57524862e-49]
energy per atom =  -3.060438222763136
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.