element(s):
['P']
AFLOW prototype label:
A_oI4_74_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0446', '0.67773461', '0.7362328', '0.20058005']
model name:
MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['P']
representative atom coordinates =  [[0.         0.25       0.54941995]]
spacegroup =  74
cell =  [[3.4189, 0, 0], [0, 5.0446, 0], [0, 0, 3.714]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:50      -12.607550         2.159353
BFGS:    1 17:10:50      -12.861484         1.711909
BFGS:    2 17:10:50      -13.151177         1.085680
BFGS:    3 17:10:50      -13.320159         0.539077
BFGS:    4 17:10:50      -13.387459         0.482450
BFGS:    5 17:10:50      -13.393162         0.442215
BFGS:    6 17:10:50      -13.404538         0.311825
BFGS:    7 17:10:50      -13.414681         0.143271
BFGS:    8 17:10:50      -13.419302         0.077242
BFGS:    9 17:10:50      -13.419809         0.065028
BFGS:   10 17:10:50      -13.419986         0.053400
BFGS:   11 17:10:50      -13.420408         0.049756
BFGS:   12 17:10:50      -13.420983         0.049654
BFGS:   13 17:10:50      -13.421551         0.062024
BFGS:   14 17:10:50      -13.421880         0.077402
BFGS:   15 17:10:50      -13.422120         0.075973
BFGS:   16 17:10:50      -13.422511         0.065326
BFGS:   17 17:10:50      -13.423266         0.061940
BFGS:   18 17:10:50      -13.424349         0.057410
BFGS:   19 17:10:50      -13.425162         0.036915
BFGS:   20 17:10:50      -13.425445         0.011503
BFGS:   21 17:10:50      -13.425482         0.001417
BFGS:   22 17:10:50      -13.425483         0.000104
BFGS:   23 17:10:50      -13.425483         0.000011
BFGS:   24 17:10:50      -13.425483         0.000001
BFGS:   25 17:10:50      -13.425483         0.000000
BFGS:   26 17:10:50      -13.425483         0.000000
BFGS:   27 17:10:50      -13.425483         0.000000
Minimization converged after 27 steps.
Maximum force component: 4.168838434185502e-10 eV/Angstrom
Maximum stress component: 2.1066352791156105e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['P', 'P', 'P', 'P']
basis =  [[0.0000000e+00 2.5000000e-01 5.0000000e-01]
 [0.0000000e+00 7.5000000e-01 5.0000000e-01]
 [5.0000000e-01 7.5000000e-01 1.0000000e+00]
 [5.0000000e-01 2.5000000e-01 9.8490105e-12]]
cellpar =  Cell([[3.5088220305320816, 3.159754011344697e-37, 0.0], [1.2909045090229238e-35, 4.962223703682678, 0.0], [0.0, 0.0, 3.5088220293661636]])
forces =  [[ 6.36465062e-67  2.44656518e-31  4.16883843e-10]
 [-6.36465062e-67 -2.44656518e-31 -4.16883843e-10]
 [ 3.18232531e-67  1.22328259e-31  4.16883843e-10]
 [-3.18232531e-67 -1.22328259e-31 -4.16883843e-10]]
stress =  [-1.68607700e-11  2.10663528e-10 -5.38398239e-11  0.00000000e+00
  0.00000000e+00 -1.94631874e-44]
energy per atom =  -3.356370827987397
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oI4_74_e, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.