element(s):
['Ni']
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:
['2.582', '1.5943455']
model name:
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:06:15       -8.657741         1.513406
BFGS:    1 15:06:15       -8.733860         1.353991
BFGS:    2 15:06:15       -8.855968         0.721968
BFGS:    3 15:06:15       -8.861387         0.851478
BFGS:    4 15:06:15       -8.878384         0.375645
BFGS:    5 15:06:15       -8.881070         0.348671
BFGS:    6 15:06:15       -8.892339         0.042945
BFGS:    7 15:06:15       -8.892427         0.002879
BFGS:    8 15:06:15       -8.892427         0.000020
BFGS:    9 15:06:15       -8.892427         0.000000
BFGS:   10 15:06:15       -8.892427         0.000000
Minimization converged after 10 steps.
Maximum force component: 6.052874069430848e-32 eV/Angstrom
Maximum stress component: 1.9011831516624837e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.4301538094585156, 1.7504375455239135e-17, 4.7664179253713535e-36], [-1.2150769047292578, 2.104574934094601, -4.969306898015773e-37], [-1.9065341301229025e-35, -6.903797391967741e-35, 4.139977215878188]])
forces =  [[ 5.49155903e-32 -2.59408889e-32  8.44593261e-68]
 [-3.49462847e-32  6.05287407e-32 -1.42920019e-68]]
stress =  [ 3.00074011e-14  3.00074011e-14 -1.90118315e-13 -4.71559893e-34
 -2.89060565e-49 -2.00313973e-29]
energy per atom =  -4.4462137016852035
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0