element(s):
['Ni', 'Pt']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6072']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Pt']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6072, 0, 0], [0, 3.6072, 0], [0, 0, 3.6072]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:43      -74.680241         9.472384
BFGS:    1 15:10:43      -75.814849         5.461100
BFGS:    2 15:10:43      -76.253047         0.137147
BFGS:    3 15:10:43      -76.253274         0.020164
BFGS:    4 15:10:43      -76.253279         0.000061
BFGS:    5 15:10:43      -76.253279         0.000000
BFGS:    6 15:10:43      -76.253279         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0174045008650843e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Pt']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [2.76818483e-64 1.00000000e+00 1.00000000e+00]]
cellpar =  Cell([[3.5160068957758988, -5.841387600149649e-34, -1.2460513524415349e-33], [-2.920799648458855e-34, 3.5160068957758988, -9.307056171112427e-21], [2.8577441589439113e-32, -9.307056171145432e-21, 3.5160068957758988]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.01740450e-15 -3.01740450e-15 -3.01740450e-15  1.33953734e-30
  6.64706253e-34 -7.06792597e-50]
energy per atom =  -19.063319698610925
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0