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 16:58:10      -12.607550        2.1594
BFGS:    1 16:58:10      -12.861484        1.7119
BFGS:    2 16:58:10      -13.151177        1.0857
BFGS:    3 16:58:10      -13.320159        0.5391
BFGS:    4 16:58:10      -13.387459        0.4824
BFGS:    5 16:58:10      -13.393162        0.4422
BFGS:    6 16:58:10      -13.404538        0.3118
BFGS:    7 16:58:10      -13.414681        0.1433
BFGS:    8 16:58:10      -13.419302        0.0772
BFGS:    9 16:58:10      -13.419809        0.0650
BFGS:   10 16:58:10      -13.419986        0.0534
BFGS:   11 16:58:10      -13.420408        0.0498
BFGS:   12 16:58:10      -13.420983        0.0497
BFGS:   13 16:58:10      -13.421551        0.0620
BFGS:   14 16:58:10      -13.421880        0.0774
BFGS:   15 16:58:10      -13.422120        0.0760
BFGS:   16 16:58:10      -13.422511        0.0653
BFGS:   17 16:58:10      -13.423266        0.0619
BFGS:   18 16:58:10      -13.424349        0.0574
BFGS:   19 16:58:10      -13.425162        0.0369
BFGS:   20 16:58:10      -13.425445        0.0115
BFGS:   21 16:58:10      -13.425482        0.0014
BFGS:   22 16:58:10      -13.425483        0.0001
BFGS:   23 16:58:10      -13.425483        0.0000
BFGS:   24 16:58:10      -13.425483        0.0000
BFGS:   25 16:58:10      -13.425483        0.0000
BFGS:   26 16:58:10      -13.425483        0.0000
BFGS:   27 16:58:10      -13.425483        0.0000
Minimization converged after 27 steps.
Maximum force component: 4.168860351514429e-10 eV/Angstrom
Maximum stress component: 2.1066334643379e-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([[3.508822030532082, 4.346708366879415e-36, 0.0], [1.542122275704064e-36, 4.962223703682677, 0.0], [0.0, 0.0, 3.508822029366163]])
forces =  [[ 0.00000000e+00  0.00000000e+00  4.16886035e-10]
 [ 0.00000000e+00  0.00000000e+00 -4.16886035e-10]
 [ 0.00000000e+00  0.00000000e+00  4.16886035e-10]
 [ 0.00000000e+00  0.00000000e+00 -4.16886035e-10]]
stress =  [-1.68608078e-11  2.10663346e-10 -5.38399044e-11  0.00000000e+00
  0.00000000e+00  1.36176591e-46]
energy per atom =  -3.3563708279873965
===============================================
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.