element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:09:25      -88.281846         0.650594
BFGS:    1 16:09:25      -88.341787         0.433001
BFGS:    2 16:09:25      -88.350339         0.445968
BFGS:    3 16:09:25      -88.371168         0.280769
BFGS:    4 16:09:25      -88.374290         0.257461
BFGS:    5 16:09:25      -88.388290         0.137117
BFGS:    6 16:09:25      -88.391748         0.094917
BFGS:    7 16:09:25      -88.392628         0.064404
BFGS:    8 16:09:25      -88.393115         0.064611
BFGS:    9 16:09:25      -88.394586         0.104549
BFGS:   10 16:09:25      -88.397721         0.168752
BFGS:   11 16:09:25      -88.403931         0.229697
BFGS:   12 16:09:25      -88.410230         0.220456
BFGS:   13 16:09:25      -88.415842         0.125335
BFGS:   14 16:09:25      -88.417870         0.021088
BFGS:   15 16:09:25      -88.417940         0.001079
BFGS:   16 16:09:25      -88.417940         0.000108
BFGS:   17 16:09:25      -88.417940         0.000000
BFGS:   18 16:09:25      -88.417940         0.000000
BFGS:   19 16:09:25      -88.417940         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.4541554552448556e-11 eV/Angstrom
Maximum stress component: 2.7747701268996517e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.90110285e-31 5.80220570e-31 4.48496641e-01]
 [0.00000000e+00 1.03900403e-16 5.51503359e-01]
 [6.66666667e-01 3.33333333e-01 7.81829975e-01]
 [6.66666667e-01 3.33333333e-01 8.84836692e-01]
 [3.33333333e-01 6.66666667e-01 1.15163308e-01]
 [3.33333333e-01 6.66666667e-01 2.18170025e-01]
 [1.14897458e-17 1.97274994e-31 2.17178005e-01]
 [1.00000000e+00 6.96264684e-31 7.82821995e-01]
 [6.66666667e-01 3.33333333e-01 5.50511339e-01]
 [6.66666667e-01 3.33333333e-01 1.16155328e-01]
 [3.33333333e-01 6.66666667e-01 8.83844672e-01]
 [3.33333333e-01 6.66666667e-01 4.49488661e-01]]
cellpar =  Cell([[2.4529952450488985, -4.163183836962465e-19, 1.0505095409794493e-17], [-1.2264976225244493, 2.1243561975747816, 4.806670736276432e-17], [1.565376478390089e-16, 9.103496835922305e-16, 35.85085296663501]])
forces =  [[ 1.05268691e-28  6.04757702e-28  2.38382090e-11]
 [-1.05591203e-28 -6.04385297e-28 -2.38382090e-11]
 [ 1.05026807e-28  6.05316309e-28  2.38382090e-11]
 [-1.05376195e-28 -6.04571499e-28 -2.38382090e-11]
 [ 1.04731171e-28  6.05316309e-28  2.38382090e-11]
 [-1.05053683e-28 -6.04757702e-28 -2.38382090e-11]
 [ 1.05759654e-28  6.23362349e-28  2.45415546e-11]
 [-1.05813406e-28 -6.24107159e-28 -2.45415546e-11]
 [ 1.06068728e-28  6.23106321e-28  2.45415546e-11]
 [-1.05437142e-28 -6.23920957e-28 -2.45415546e-11]
 [ 1.06297174e-28  6.23176147e-28  2.45415546e-11]
 [-1.05759654e-28 -6.24107159e-28 -2.45415546e-11]]
stress =  [-2.77477013e-13 -2.77477013e-13 -1.36738350e-14  1.22059667e-29
 -7.06896844e-30 -1.80359857e-29]
energy per atom =  -7.368161703153091
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0