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 20:46:33      -18.058745         0.962200
BFGS:    1 20:46:33      -18.083256         0.911336
BFGS:    2 20:46:33      -18.158583         0.711740
BFGS:    3 20:46:33      -18.211343         0.487602
BFGS:    4 20:46:33      -18.239953         0.237118
BFGS:    5 20:46:33      -18.245068         0.061596
BFGS:    6 20:46:33      -18.245225         0.059166
BFGS:    7 20:46:33      -18.245677         0.061042
BFGS:    8 20:46:33      -18.246022         0.038992
BFGS:    9 20:46:33      -18.246159         0.010351
BFGS:   10 20:46:33      -18.246174         0.001862
BFGS:   11 20:46:33      -18.246174         0.000145
BFGS:   12 20:46:33      -18.246174         0.000011
BFGS:   13 20:46:33      -18.246174         0.000000
BFGS:   14 20:46:33      -18.246174         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6285613899336086e-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 1.15037528e-35]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [9.97791498e-54 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.18543840834188, -9.021699539258904e-35, -1.0997048257560522e-32], [-3.593941206993977e-35, 4.18543840834188, -8.498594576351134e-19], [3.736321734969067e-37, -8.511581945248798e-19, 4.185438408594016]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.62856139e-10 -1.62856139e-10 -7.89212043e-11 -3.55915456e-26
  7.49283325e-48 -1.05759548e-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.