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_002
==== 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 13:42:05      -24.256125        1.7849
BFGS:    1 13:42:05      -24.436227        1.5798
BFGS:    2 13:42:05      -24.653111        1.1886
BFGS:    3 13:42:05      -24.758131        0.7998
BFGS:    4 13:42:05      -24.801191        0.4618
BFGS:    5 13:42:05      -24.824247        0.5037
BFGS:    6 13:42:05      -24.863758        0.4411
BFGS:    7 13:42:05      -24.894404        0.5713
BFGS:    8 13:42:05      -24.910801        0.6155
BFGS:    9 13:42:05      -24.933714        0.6115
BFGS:   10 13:42:05      -24.959967        0.5272
BFGS:   11 13:42:05      -24.984779        0.4007
BFGS:   12 13:42:05      -25.006126        0.2811
BFGS:   13 13:42:05      -25.018591        0.2044
BFGS:   14 13:42:05      -25.020672        0.1991
BFGS:   15 13:42:05      -25.023331        0.1467
BFGS:   16 13:42:05      -25.024332        0.0839
BFGS:   17 13:42:05      -25.024687        0.0417
BFGS:   18 13:42:05      -25.024787        0.0446
BFGS:   19 13:42:05      -25.024915        0.0374
BFGS:   20 13:42:05      -25.025007        0.0220
BFGS:   21 13:42:05      -25.025057        0.0061
BFGS:   22 13:42:05      -25.025065        0.0013
BFGS:   23 13:42:05      -25.025065        0.0002
BFGS:   24 13:42:05      -25.025065        0.0000
BFGS:   25 13:42:05      -25.025065        0.0000
BFGS:   26 13:42:05      -25.025065        0.0000
BFGS:   27 13:42:05      -25.025065        0.0000
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