element(s):
['Mn', 'O']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4684', '1.5908488', '0.50190901', '0.88452099']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'O']
representative atom coordinates =  [[0.33333333 0.66666667 0.00190901]
 [0.33333333 0.66666667 0.38452099]]
spacegroup =  186
cell =  [[3.4684, 0, 0], [-1.7342, 3.0037225104859, 0], [0, 0, 5.5177]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:46:12      -19.933575        4.9675
BFGS:    1 15:46:12      -20.595596        4.5309
BFGS:    2 15:46:12      -21.173266        3.9346
BFGS:    3 15:46:12      -21.632812        3.1794
BFGS:    4 15:46:12      -21.944760        2.2283
BFGS:    5 15:46:12      -22.095145        1.1649
BFGS:    6 15:46:12      -22.128008        0.6763
BFGS:    7 15:46:12      -22.154114        0.9061
BFGS:    8 15:46:12      -22.236730        2.5583
BFGS:    9 15:46:12      -22.359829        3.2846
BFGS:   10 15:46:12      -22.518783        3.4962
BFGS:   11 15:46:12      -22.700787        3.4921
BFGS:   12 15:46:12      -22.912387        3.6715
BFGS:   13 15:46:12      -23.158351        3.9600
BFGS:   14 15:46:12      -23.444061        4.3248
BFGS:   15 15:46:12      -23.771003        4.7012
BFGS:   16 15:46:12      -24.142375        5.0937
BFGS:   17 15:46:12      -24.558826        5.5170
BFGS:   18 15:46:13      -25.016452        5.8287
BFGS:   19 15:46:13      -25.509289        6.0127
BFGS:   20 15:46:13      -26.017413        5.9386
BFGS:   21 15:46:13      -26.503361        5.2915
BFGS:   22 15:46:13      -26.896884        3.6522
BFGS:   23 15:46:13      -27.077275        0.4164
BFGS:   24 15:46:13      -27.077712        0.2698
BFGS:   25 15:46:13      -27.079637        0.0548
BFGS:   26 15:46:13      -27.079663        0.0290
BFGS:   27 15:46:13      -27.079670        0.0001
BFGS:   28 15:46:13      -27.079670        0.0000
BFGS:   29 15:46:13      -27.079670        0.0000
BFGS:   30 15:46:13      -27.079670        0.0000
Minimization converged after 30 steps.
Maximum force component: 5.405750812395105e-10 eV/Angstrom
Maximum stress component: 4.1115166492800266e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.943215  ]
 [0.66666666 0.33333334 0.443215  ]
 [0.33333333 0.66666667 0.443215  ]
 [0.66666666 0.33333334 0.943215  ]]
cellpar =  Cell([[3.4422947372627393, -2.201150601561382e-17, -5.846969042454471e-36], [-1.7211473686313696, 2.9811146897830136, 4.9398722302838886e-36], [4.1268937641183383e-36, -1.3617673207485652e-35, 4.014577310375302]])
forces =  [[ 5.55697910e-46 -1.83365819e-45  5.40574182e-10]
 [ 5.55697910e-46 -1.83365819e-45  5.40574182e-10]
 [-5.55698834e-46  1.83366124e-45 -5.40575081e-10]
 [-5.55698834e-46  1.83366124e-45 -5.40575081e-10]]
stress =  [-3.18128002e-13 -3.18128002e-13  4.11151665e-11  5.14958171e-34
 -2.97311239e-34  9.91246919e-29]
energy per atom =  -6.769917514798517
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hP4_186_b_b, while relaxed is AB_hP4_194_c_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.