element(s):
['Fe']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
3
Parameter values for parameter set 0:
['3.7691']
Parameter values for parameter set 1:
['3.449']
Parameter values for parameter set 2:
['3.6011']
model name:
MEAM_LAMMPS_KimShinLee_2009_FeMn__MO_058735400462_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.7691, 0, 0], [0, 3.7691, 0], [0, 0, 3.7691]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:13:48      -16.523192         1.325287
BFGS:    1 15:13:48      -16.595205         1.209199
BFGS:    2 15:13:48      -16.751397         0.863576
BFGS:    3 15:13:48      -16.851149         0.455351
BFGS:    4 15:13:48      -16.884460         0.023754
BFGS:    5 15:13:48      -16.884542         0.001808
BFGS:    6 15:13:48      -16.884542         0.000006
BFGS:    7 15:13:48      -16.884542         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4400580201901132e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.73567889e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.612089108289889, 1.4421122809525546e-32, 6.981881625640488e-36], [1.0172787802135804e-33, 3.612089108289889, -9.874385864734003e-18], [4.7867879966784954e-34, -9.874385864734006e-18, 3.612089108289889]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.44005802e-10 -1.44005802e-10 -1.44005802e-10 -1.31240771e-27
 -7.87267462e-35  1.73481172e-53]
energy per atom =  -4.221135595937754
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.449, 0, 0], [0, 3.449, 0], [0, 0, 3.449]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:13:49      -16.418990         2.126871
BFGS:    1 15:13:49      -16.593475         1.707108
BFGS:    2 15:13:49      -16.801670         1.072922
BFGS:    3 15:13:49      -16.900322         0.152880
BFGS:    4 15:13:49      -16.901809         0.031418
BFGS:    5 15:13:50      -16.901878         0.001083
BFGS:    6 15:13:50      -16.901878         0.000012
BFGS:    7 15:13:50      -16.901878         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.702916163130647e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.83608532e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.15952405e-34]]
cellpar =  Cell([[3.5673229791456915, -7.064565683734578e-33, -7.181993871738221e-34], [-9.77249343152745e-33, 3.5673229791456915, -5.7675618076983765e-18], [-1.4421610256876984e-33, -5.767561807698376e-18, 3.5673229791456915]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.70291616e-10  3.70291616e-10  3.70291616e-10 -5.13763136e-27
  5.04468866e-36  6.59189024e-53]
energy per atom =  -4.225469552584155
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6011, 0, 0], [0, 3.6011, 0], [0, 0, 3.6011]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:13:51      -16.882420         0.116603
BFGS:    1 15:13:51      -16.882963         0.100443
BFGS:    2 15:13:51      -16.884542         0.001758
BFGS:    3 15:13:51      -16.884542         0.000027
BFGS:    4 15:13:51      -16.884542         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.460668173723477e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.06791719e-40]]
cellpar =  Cell([[3.612089107723969, 3.5476120137707126e-35, -1.3929144999019668e-34], [3.5478218227826447e-35, 3.612089107723969, -1.920750163413291e-23], [5.442078388874206e-35, -1.920750163431064e-23, 3.612089107723969]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.46066817e-10 -6.46066817e-10 -6.46066817e-10 -3.17858734e-25
  3.66599980e-44  5.65292420e-60]
energy per atom =  -4.221135595937756
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0