element(s):
['Fe', 'P']
AFLOW prototype label:
AB2_oP6_58_a_g
Parameter names:
['a', 'b/a', 'c/a', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9346', '1.1539132', '0.55009525', '0.82972729', '0.62927186']
model name:
MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'P']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.82972729 0.62927186 0.        ]]
spacegroup =  58
cell =  [[4.9346, 0, 0], [0, 5.6941, 0], [0, 0, 2.7145]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:41:36      -24.256125         1.784938
BFGS:    1 15:41:36      -24.436227         1.579762
BFGS:    2 15:41:36      -24.653111         1.188606
BFGS:    3 15:41:36      -24.758131         0.799792
BFGS:    4 15:41:36      -24.801191         0.461798
BFGS:    5 15:41:36      -24.824247         0.503727
BFGS:    6 15:41:36      -24.863758         0.441105
BFGS:    7 15:41:36      -24.894404         0.571291
BFGS:    8 15:41:36      -24.910801         0.615502
BFGS:    9 15:41:36      -24.933714         0.611453
BFGS:   10 15:41:36      -24.959967         0.527154
BFGS:   11 15:41:36      -24.984779         0.400698
BFGS:   12 15:41:36      -25.006126         0.281060
BFGS:   13 15:41:36      -25.018591         0.204446
BFGS:   14 15:41:36      -25.020672         0.199131
BFGS:   15 15:41:36      -25.023331         0.146697
BFGS:   16 15:41:36      -25.024332         0.083872
BFGS:   17 15:41:36      -25.024687         0.041687
BFGS:   18 15:41:36      -25.024787         0.044581
BFGS:   19 15:41:36      -25.024915         0.037407
BFGS:   20 15:41:36      -25.025007         0.022006
BFGS:   21 15:41:36      -25.025057         0.006108
BFGS:   22 15:41:36      -25.025065         0.001295
BFGS:   23 15:41:36      -25.025065         0.000151
BFGS:   24 15:41:36      -25.025065         0.000013
BFGS:   25 15:41:36      -25.025065         0.000000
BFGS:   26 15:41:36      -25.025065         0.000000
BFGS:   27 15:41:36      -25.025065         0.000000
Minimization converged after 27 steps.
Maximum force component: 2.8363036070179837e-09 eV/Angstrom
Maximum stress component: 1.9733887602006565e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'P', 'P', 'P', 'P']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [8.20087986e-01 6.40364312e-01 1.59867232e-36]
 [1.79912014e-01 3.59635688e-01 0.00000000e+00]
 [6.79912014e-01 1.40364312e-01 5.00000000e-01]
 [3.20087986e-01 8.59635688e-01 5.00000000e-01]]
cellpar =  Cell([[5.271777666974705, -2.0857748926260496e-36, 0.0], [-2.608039053738393e-35, 5.635018580967419, 0.0], [0.0, 0.0, 2.5323626243061477]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.31021537e-09  2.83630361e-09  0.00000000e+00]
 [-2.31021537e-09 -2.83630361e-09  0.00000000e+00]
 [-2.31021537e-09  2.83630361e-09  0.00000000e+00]
 [ 2.31021537e-09 -2.83630361e-09  0.00000000e+00]]
stress =  [-1.29876796e-10 -1.17874622e-11 -1.97338876e-10  0.00000000e+00
  0.00000000e+00  1.06220413e-31]
energy per atom =  -4.170844162949517
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0