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:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004
==== 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 10:59:23       -8.303703         1.037592
BFGS:    1 10:59:23       -8.335987         0.844700
BFGS:    2 10:59:23       -8.385363         0.156882
BFGS:    3 10:59:23       -8.385692         0.121593
BFGS:    4 10:59:24       -8.386415         0.008485
BFGS:    5 10:59:24       -8.386423         0.000837
BFGS:    6 10:59:24       -8.386423         0.000068
BFGS:    7 10:59:24       -8.386423         0.000000
BFGS:    8 10:59:24       -8.386423         0.000000
Minimization converged after 8 steps.
Maximum force component: 5.123204149206584e-32 eV/Angstrom
Maximum stress component: 4.081325208473452e-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([[2.4938622008960567, 9.668997068922377e-18, -3.424014488231606e-36], [-1.2469311004480284, 2.159748019513757, -3.9880886115501166e-36], [1.632810933300215e-36, 1.894865784418137e-36, 4.07373348713277]])
forces =  [[ 5.12320415e-32 -3.54945995e-32  1.67375473e-32]
 [ 5.12320415e-32 -3.54945995e-32 -1.67375473e-32]]
stress =  [-4.08132521e-13 -4.08132521e-13  4.05607786e-13 -4.66985620e-33
 -1.61768564e-33  6.23218777e-29]
energy per atom =  -4.193211479424938
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0