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 18:00:46       -2.264575         1.096678
BFGS:    1 18:00:46       -2.285410         1.072981
BFGS:    2 18:00:46       -2.346313         0.968206
BFGS:    3 18:00:46       -2.397074         0.811466
BFGS:    4 18:00:46       -2.434767         0.591790
BFGS:    5 18:00:46       -2.456225         0.298029
BFGS:    6 18:00:46       -2.460666         0.203669
BFGS:    7 18:00:46       -2.461842         0.174129
BFGS:    8 18:00:46       -2.466219         0.035784
BFGS:    9 18:00:46       -2.466389         0.006836
BFGS:   10 18:00:46       -2.466393         0.000367
BFGS:   11 18:00:46       -2.466393         0.000041
BFGS:   12 18:00:46       -2.466393         0.000001
BFGS:   13 18:00:46       -2.466393         0.000000
BFGS:   14 18:00:46       -2.466393         0.000000
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, -6.432026079017666e-18, 1.1550848389991238e-36], [-1.4899044899938672, 2.580590275094375, 9.632736543293135e-37], [1.0455679611397697e-35, -5.095564016632299e-35, 4.830851498600724]])
forces =  [[ 4.30762049e-19 -9.29815553e-37 -3.49174646e-19]
 [ 2.15381025e-18 -1.49220351e-18  3.49174646e-19]]
stress =  [-1.98124579e-12 -1.98124576e-12 -2.57676755e-12  2.31918964e-19
 -4.01695428e-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