element(s):
['Cd']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0419', '1.8324403']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0419, 0, 0], [-1.52095, 2.6343626757719, 0], [0, 0, 5.5741]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:33       -0.455669         0.332877
BFGS:    1 15:39:33       -0.459529         0.335382
BFGS:    2 15:39:33       -0.499905         0.359466
BFGS:    3 15:39:33       -0.538655         0.373589
BFGS:    4 15:39:33       -0.572640         0.369926
BFGS:    5 15:39:33       -0.597472         0.335440
BFGS:    6 15:39:33       -0.607904         0.253430
BFGS:    7 15:39:33       -0.609521         0.236723
BFGS:    8 15:39:33       -0.620580         0.151278
BFGS:    9 15:39:33       -0.627204         0.077135
BFGS:   10 15:39:33       -0.628512         0.019032
BFGS:   11 15:39:33       -0.628605         0.001670
BFGS:   12 15:39:33       -0.628606         0.000045
BFGS:   13 15:39:33       -0.628606         0.000000
BFGS:   14 15:39:33       -0.628606         0.000000
BFGS:   15 15:39:33       -0.628606         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.87932904227635e-32 eV/Angstrom
Maximum stress component: 3.027476598911245e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.8009837603879344, -1.5135813487955103e-17, -5.74517897095739e-36], [-1.4004918801939672, 2.4257230920836155, -8.993454755911852e-37], [-8.29416739489992e-37, 7.1294805864868745e-37, 4.5740785698584805]])
forces =  [[ 2.87706587e-33 -1.55469421e-50 -1.87932904e-32]
 [ 2.87706587e-33 -1.55469421e-50  1.87932904e-32]]
stress =  [ 6.39479209e-12  6.39479209e-12  3.02747660e-11  2.89297308e-35
 -3.00646582e-35  3.62154091e-28]
energy per atom =  -0.3143031148852422
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0