element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:24:19      -58.274418         1.078734
BFGS:    1 17:24:19      -58.322868         1.017062
BFGS:    2 17:24:20      -58.459956         0.808619
BFGS:    3 17:24:20      -58.564795         0.587000
BFGS:    4 17:24:20      -58.635369         0.351641
BFGS:    5 17:24:20      -58.669572         0.101958
BFGS:    6 17:24:20      -58.672576         0.004258
BFGS:    7 17:24:20      -58.672582         0.000048
BFGS:    8 17:24:20      -58.672582         0.000000
BFGS:    9 17:24:20      -58.672582         0.000000
Minimization converged after 9 steps.
Maximum force component: 4.6052999897858675e-31 eV/Angstrom
Maximum stress component: 1.3814725892077255e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.003139174594135, -4.617953381578946e-33, -1.043046871382297e-35], [-8.913852191771465e-33, 4.003139174594135, 3.305270035599201e-18], [1.4070241970327888e-33, 3.305270035599199e-18, 4.003139174594135]])
forces =  [[-1.97370000e-31 -1.31580000e-31  1.26954140e-31]
 [ 1.97370000e-31 -9.86849998e-32 -6.57899999e-32]
 [-6.99018748e-32 -4.93424999e-32 -2.63159999e-31]
 [ 4.60529999e-31 -2.96054999e-31 -1.31580000e-31]
 [-3.66239037e-64  1.64475000e-31  1.35801995e-49]
 [-1.31580000e-31 -4.93424999e-32 -1.64475000e-32]
 [ 2.46712499e-32  1.43915625e-32 -1.68586875e-31]
 [ 3.28949999e-31 -1.97370000e-31  1.31580000e-31]]
stress =  [-1.38147259e-14 -1.38147259e-14 -1.38147259e-14  3.29633627e-31
 -1.02555231e-33  5.58530268e-51]
energy per atom =  -7.334072702261897
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0