element(s):
['Fe', 'P']
AFLOW prototype label:
A4B_tP5_123_ace_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2832', '1.0202419']
model name:
MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Fe', 'P']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.  0.  0.5]]
spacegroup =  123
cell =  [[4.2832, 0, 0], [0, 4.2832, 0], [0, 0, 4.3699]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:51:16      -18.058745         0.962200
BFGS:    1 16:51:16      -18.083256         0.911336
BFGS:    2 16:51:16      -18.158583         0.711740
BFGS:    3 16:51:16      -18.211343         0.487602
BFGS:    4 16:51:16      -18.239953         0.237118
BFGS:    5 16:51:16      -18.245068         0.061596
BFGS:    6 16:51:16      -18.245225         0.059166
BFGS:    7 16:51:16      -18.245677         0.061042
BFGS:    8 16:51:16      -18.246022         0.038992
BFGS:    9 16:51:16      -18.246159         0.010351
BFGS:   10 16:51:16      -18.246174         0.001862
BFGS:   11 16:51:16      -18.246174         0.000145
BFGS:   12 16:51:16      -18.246174         0.000011
BFGS:   13 16:51:16      -18.246174         0.000000
BFGS:   14 16:51:16      -18.246174         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.628565372317404e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'P']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [6.38586559e-52 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.18543840834188, -8.85998671102793e-35, 3.2395349962454095e-32], [-3.334117832484364e-35, 4.185438408341879, -9.680025996351574e-19], [1.1517241875173702e-37, -9.716976666714283e-19, 4.185438408594014]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.62856537e-10 -1.62856537e-10 -7.89219433e-11  3.11017419e-26
  2.30926871e-48  1.00356282e-61]
energy per atom =  -3.649234847372187
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A4B_tP5_123_ace_b, while relaxed is A4B_cP5_221_ac_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.