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 10:53:42       -8.657741         1.513406
BFGS:    1 10:53:42       -8.733860         1.353991
BFGS:    2 10:53:43       -8.855968         0.721968
BFGS:    3 10:53:43       -8.861387         0.851478
BFGS:    4 10:53:43       -8.878384         0.375645
BFGS:    5 10:53:43       -8.881070         0.348671
BFGS:    6 10:53:43       -8.892339         0.042945
BFGS:    7 10:53:43       -8.892427         0.002879
BFGS:    8 10:53:43       -8.892427         0.000020
BFGS:    9 10:53:43       -8.892427         0.000000
BFGS:   10 10:53:43       -8.892427         0.000000
Minimization converged after 10 steps.
Maximum force component: 3.4946284733568065e-32 eV/Angstrom
Maximum stress component: 1.9104377768198533e-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([[2.4301538094585142, 1.7504388599695672e-17, -2.3859657158674745e-36], [-1.2150769047292571, 2.1045749340946007, -4.3355180412939976e-36], [1.602888778497549e-35, -8.882130771797915e-36, 4.139977215878188]])
forces =  [[ 3.49462847e-32 -8.64696296e-33 -1.15961695e-68]
 [-4.99232639e-33 -2.59408889e-32  7.30455844e-68]]
stress =  [ 2.80443981e-14  2.80443981e-14 -1.91043778e-13  1.96800271e-47
  2.04191423e-34 -9.19024727e-30]
energy per atom =  -4.446213701685205
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0