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_001
==== 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 16:33:40      -58.274418         1.078734
BFGS:    1 16:33:40      -58.322868         1.017062
BFGS:    2 16:33:40      -58.459956         0.808619
BFGS:    3 16:33:40      -58.564795         0.587000
BFGS:    4 16:33:40      -58.635369         0.351641
BFGS:    5 16:33:40      -58.669572         0.101958
BFGS:    6 16:33:40      -58.672576         0.004258
BFGS:    7 16:33:40      -58.672582         0.000048
BFGS:    8 16:33:40      -58.672582         0.000000
BFGS:    9 16:33:40      -58.672582         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.921099986867542e-31 eV/Angstrom
Maximum stress component: 1.51593204049138e-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([[4.003139174594134, -2.918681729094727e-32, 3.079269152328753e-33], [5.378332525546585e-33, 4.003139174594134, 1.7640592811670047e-17], [1.8491670951382216e-36, 1.7640592811670047e-17, 4.003139174594134]])
forces =  [[ 9.86849998e-32  6.57899999e-32 -6.57899999e-32]
 [-5.92109999e-31  2.63159999e-31  6.57899999e-32]
 [-4.52306249e-32  8.22374998e-32  1.31580000e-31]
 [ 2.63159999e-31 -3.28949999e-31 -2.63159999e-31]
 [ 3.61844999e-31  3.28949999e-31 -8.22374998e-32]
 [ 1.97370000e-31  7.81256248e-32  3.28949999e-32]
 [-3.12502499e-31 -3.28949999e-32  5.26319999e-31]
 [ 1.64475000e-31  5.42767499e-31  5.75662499e-31]]
stress =  [-1.51593204e-14 -1.51593204e-14 -1.51593204e-14 -7.80793927e-31
  1.02555231e-33  8.98510782e-50]
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