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:
Morse_EIP_GuthikondaElliott_2011_AuCd__MO_703849496106_002
==== 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 14:48:59       -2.264575        1.0967
BFGS:    1 14:48:59       -2.285410        1.0730
BFGS:    2 14:48:59       -2.346313        0.9682
BFGS:    3 14:48:59       -2.397074        0.8115
BFGS:    4 14:48:59       -2.434767        0.5918
BFGS:    5 14:48:59       -2.456225        0.2980
BFGS:    6 14:48:59       -2.460666        0.2037
BFGS:    7 14:48:59       -2.461842        0.1741
BFGS:    8 14:48:59       -2.466219        0.0358
BFGS:    9 14:48:59       -2.466389        0.0068
BFGS:   10 14:48:59       -2.466393        0.0004
BFGS:   11 14:48:59       -2.466393        0.0000
BFGS:   12 14:48:59       -2.466393        0.0000
BFGS:   13 14:48:59       -2.466393        0.0000
BFGS:   14 14:48:59       -2.466393        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.153810246463011e-18 eV/Angstrom
Maximum stress component: 2.5767675508230305e-12 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([[2.9798089799877343, -3.3866693302927457e-18, -4.068913504804081e-36], [-1.4899044899938672, 2.580590275094375, -2.479323553308333e-36], [8.740719739974045e-36, 3.149094977763109e-35, 4.830851498600724]])
forces =  [[ 4.30762049e-19 -4.89577899e-37 -3.49174646e-19]
 [ 2.15381025e-18 -1.49220351e-18  3.49174646e-19]]
stress =  [-1.98124579e-12 -1.98124576e-12 -2.57676755e-12  1.39151378e-19
 -8.03390857e-20  2.81989405e-20]
energy per atom =  -1.2331964124626926
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0