element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:58:10      -58.948466         0.210270
BFGS:    1 20:58:10      -58.950284         0.193199
BFGS:    2 20:58:11      -58.959996         0.003990
BFGS:    3 20:58:11      -58.960000         0.000073
BFGS:    4 20:58:11      -58.960000         0.000000
BFGS:    5 20:58:12      -58.960000         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.068588052135463e-31 eV/Angstrom
Maximum stress component: 2.741793438447595e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.   0.5 ]
 [0.75 0.25 0.75]
 [0.25 0.25 0.25]
 [0.25 0.75 0.75]
 [0.75 0.75 0.25]]
cellpar =  Cell([[3.5564777016161764, 1.3523259545211053e-35, -5.305419469800137e-37], [2.578290783549515e-38, 3.5564777016161764, 1.325514279539793e-22], [1.6043559382659097e-36, 1.3255142795396577e-22, 3.5564777016161764]])
forces =  [[ 1.06852620e-31  1.60735565e-31 -2.92246481e-32]
 [ 1.02286268e-31 -5.84492962e-32 -4.38369722e-32]
 [ 1.13245511e-31  3.06858805e-31  4.84033234e-32]
 [-2.26491023e-31 -7.30616203e-33 -3.65308101e-32]
 [ 2.04572537e-31 -5.84492962e-32  1.68041727e-31]
 [-2.46582968e-32  1.75347889e-31 -2.04572537e-31]
 [ 1.97266375e-31  2.77634157e-31  1.21464944e-31]
 [-2.92246481e-32  1.16898592e-31  1.75347889e-31]]
stress =  [-2.74179344e-14 -2.74179344e-14 -2.74179344e-14 -2.34318377e-33
 -1.90858045e-66  1.96770390e-67]
energy per atom =  -7.370000000313767
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0