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 14:49:10       -0.455669        0.3329
BFGS:    1 14:49:10       -0.459529        0.3354
BFGS:    2 14:49:10       -0.499905        0.3595
BFGS:    3 14:49:10       -0.538655        0.3736
BFGS:    4 14:49:10       -0.572640        0.3699
BFGS:    5 14:49:10       -0.597472        0.3354
BFGS:    6 14:49:10       -0.607904        0.2534
BFGS:    7 14:49:10       -0.609521        0.2367
BFGS:    8 14:49:10       -0.620580        0.1513
BFGS:    9 14:49:10       -0.627204        0.0771
BFGS:   10 14:49:10       -0.628512        0.0190
BFGS:   11 14:49:10       -0.628605        0.0017
BFGS:   12 14:49:10       -0.628606        0.0000
BFGS:   13 14:49:10       -0.628606        0.0000
BFGS:   14 14:49:10       -0.628606        0.0000
BFGS:   15 14:49:10       -0.628606        0.0000
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