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:
SNAP_ZuoChenLi_2019_Ni__MO_365106510449_000
==== 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 15:57:37      -11.460541         1.156102
BFGS:    1 15:57:37      -11.499255         0.868333
BFGS:    2 15:57:37      -11.540499         0.371928
BFGS:    3 15:57:37      -11.542199         0.251898
BFGS:    4 15:57:37      -11.544354         0.097217
BFGS:    5 15:57:37      -11.545556         0.051611
BFGS:    6 15:57:37      -11.545702         0.011565
BFGS:    7 15:57:37      -11.545710         0.002186
BFGS:    8 15:57:37      -11.545710         0.000089
BFGS:    9 15:57:37      -11.545710         0.000003
BFGS:   10 15:57:37      -11.545710         0.000000
BFGS:   11 15:57:37      -11.545710         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.757576772236471e-32 eV/Angstrom
Maximum stress component: 4.0196509979753264e-11 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([[2.4919121596827147, 4.955513067366683e-18, 2.485060037411137e-37], [-1.2459560798413574, 2.158059234284575, -8.188255584783637e-37], [8.743843586954388e-37, 9.897251478456786e-37, 4.111798200678674]])
forces =  [[-5.11919813e-33 -8.86671126e-33 -6.75757677e-32]
 [ 5.11919813e-33  8.86671126e-33  6.75757677e-32]]
stress =  [-1.39398427e-11 -1.39398427e-11 -4.01965100e-11  2.22645858e-46
  8.01982107e-34  4.21258330e-27]
energy per atom =  -2.8792920729890943
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0