Model Extended KIM ID = 
=== Verification check vc-permutation-symmetry start (2019-07-11 07:55:55) ===
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!!!!!  VERIFICATION CHECK: vc-permutation-symmetry  !!!!!
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Description: Check whether a model is invariant with respect to atom
             permutations that preserve species, i.e. swapping any two atoms
             with the same species must not change the energy or forces. This
             must be true for all models. The check is performed for a randomly
             distorted non-periodic diamond cube base structure. Separate
             configurations are tested for each species supported by the model,
             as well as one containing a random distribution of all species.
             The energy and forces of each configuration are compared with one
             where each atom is randomly swapped with another atom of the same
             species. The energy and forces must remain unchanged. The
             verification check will pass if these conditions are satisfied for
             all configurations that the model is able to compute.
             Configurations used for testing are provided as auxiliary files.

Author: Ellad Tadmor

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Results for KIM Model      : EAM_Dynamo_Mendelev_2007_Zr__MO_848899341753_000
Supported species          : Zr

random seed                = 13
lattice constant (orig)    = 5.000
perturbation amplitude     = 0.500
number unit cells per side = 2
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MONOATOMIC STRUCTURE -- Species = Zr   (Configuration in file "config-Zr.xyz")
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Permutation list = [3, 47, 31, 0, 28, 33, 39, 48, 61, 12, 16, 30, 9, 27, 24, 59, 10, 44, 45, 38, 41, 51, 37, 35, 14, 62, 32, 13, 4, 40, 11, 2, 26, 5, 46, 23, 42, 22, 19, 6, 29, 20, 36, 57, 17, 18, 34, 1, 7, 56, 54, 21, 55, 58, 50, 52, 49, 43, 53, 15, 63, 8, 25, 60]

Energy requirement:

V(r_(PI 1),...,r_(PI N)) = V(r_1,...,r_N), where r_i is the position of atom i, V is the potential energy, 
and PI is the permutation operator (which randomly swaps all atoms with other atoms of the same species).

V(r_(PI 1),...,r_(PI N)) = 203.99848841738128
V(r_1,...,r_N)           = 203.99848841738142

Forces requirement:

f_(PI i)(r_(PI 1),...,r_(PI N)) = f_i(r_1,...,r_N), where r_i is the position of atom i, f_i is the force on atom i 
and PI is the permutation operator (which randomly swaps all atoms with other atoms of the same species).

  i             f_(PI i)(r_(PI 1),...,r_(PI N))                                  f_i(r_1,...,r_N)
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  0   -1.35559982e+01   -9.81526780e+00   -1.12452776e+01   |   -1.35559982e+01   -9.81526780e+00   -1.12452776e+01   
  1   -4.27739551e+00   -5.63660184e+01    3.47945255e+01   |   -4.27739551e+00   -5.63660184e+01    3.47945255e+01   
  2    4.77103975e-01    7.19959130e+01   -5.11283461e+01   |    4.77103975e-01    7.19959130e+01   -5.11283461e+01   
  3    5.01581357e+00   -3.01476737e+00   -2.28922018e+01   |    5.01581357e+00   -3.01476737e+00   -2.28922018e+01   
  4    6.81998986e+00   -1.86566049e+01    1.96469787e+01   |    6.81998986e+00   -1.86566049e+01    1.96469787e+01   
  5    3.25333346e-01   -4.13836994e+00    4.14775514e+00   |    3.25333346e-01   -4.13836994e+00    4.14775514e+00   
  6   -1.53448905e+01   -8.73713445e+00   -1.42436664e+01   |   -1.53448905e+01   -8.73713445e+00   -1.42436664e+01   
  7   -4.60275297e+01    1.38561763e+02   -6.86811986e+01   |   -4.60275297e+01    1.38561763e+02   -6.86811986e+01   
  8   -2.80720303e+01   -3.00370440e+01   -3.86806593e+01   |   -2.80720303e+01   -3.00370440e+01   -3.86806593e+01   
  9    1.98771379e+01    1.84494733e+01    4.61841848e+01   |    1.98771379e+01    1.84494733e+01    4.61841848e+01   
 10   -2.18155164e+01   -3.72031946e+00   -3.35332907e+01   |   -2.18155164e+01   -3.72031946e+00   -3.35332907e+01   
 11    3.24481376e+01    1.26464695e+01    2.12678593e+01   |    3.24481376e+01    1.26464695e+01    2.12678593e+01   
 12   -9.07693203e+00   -1.25264944e+01   -9.43541713e+00   |   -9.07693203e+00   -1.25264944e+01   -9.43541713e+00   
 13    5.14058434e+01   -5.37298094e+00   -3.31181358e+01   |    5.14058434e+01   -5.37298094e+00   -3.31181358e+01   
 14    2.87193104e+00    8.47637559e+00   -1.42790924e+01   |    2.87193104e+00    8.47637559e+00   -1.42790924e+01   
 15    2.83071857e+00   -7.97833221e-01   -1.59447219e+00   |    2.83071857e+00   -7.97833221e-01   -1.59447219e+00   
 16   -2.68008500e+00   -1.62006401e+00   -2.05868682e+00   |   -2.68008500e+00   -1.62006401e+00   -2.05868682e+00   
 17   -5.33201868e+00   -1.16607870e+01    1.12001662e+01   |   -5.33201868e+00   -1.16607870e+01    1.12001662e+01   
 18   -5.29035741e+00    9.34780142e+00   -2.33307579e+01   |   -5.29035741e+00    9.34780142e+00   -2.33307579e+01   
 19   -7.73725803e+01    6.04225599e+01   -4.99245187e+01   |   -7.73725803e+01    6.04225599e+01   -4.99245187e+01   
 20   -3.51981233e+01   -1.88704872e+01   -8.08929342e+00   |   -3.51981233e+01   -1.88704872e+01   -8.08929342e+00   
 21    5.02184475e+01    2.72455136e+01    2.41024776e+01   |    5.02184475e+01    2.72455136e+01    2.41024776e+01   
 22   -1.39296583e+01   -8.45800255e+00   -1.65635517e+01   |   -1.39296583e+01   -8.45800255e+00   -1.65635517e+01   
 23   -3.21192651e+00    3.13760983e+01    6.86653445e+00   |   -3.21192651e+00    3.13760983e+01    6.86653445e+00   
 24   -3.12665534e+00   -2.09185106e+00   -5.03633653e+00   |   -3.12665534e+00   -2.09185106e+00   -5.03633653e+00   
 25   -2.50936050e+01    3.33518639e+01   -2.41284805e+01   |   -2.50936050e+01    3.33518639e+01   -2.41284805e+01   
 26   -3.76897858e+00    1.39526591e-01   -3.04694675e+00   |   -3.76897858e+00    1.39526591e-01   -3.04694675e+00   
 27    3.15429973e+00    2.28279752e-02    2.96416436e+00   |    3.15429973e+00    2.28279752e-02    2.96416436e+00   
 28    2.36384974e+01   -3.40966352e+01    2.29804039e+01   |    2.36384974e+01   -3.40966352e+01    2.29804039e+01   
 29    6.94301392e+00    3.44523878e+00    6.53079539e+00   |    6.94301392e+00    3.44523878e+00    6.53079539e+00   
 30    8.49516810e+01   -4.32064997e+01    4.56196682e+01   |    8.49516810e+01   -4.32064997e+01    4.56196682e+01   
 31   -4.09594687e+01    1.83257642e+01   -2.06163742e+01   |   -4.09594687e+01    1.83257642e+01   -2.06163742e+01   
 32   -6.74981248e+00   -4.04751774e+00   -9.08425211e+00   |   -6.74981248e+00   -4.04751774e+00   -9.08425211e+00   
 33   -3.28008917e+01    2.39060983e+01   -1.22205665e+01   |   -3.28008917e+01    2.39060983e+01   -1.22205665e+01   
 34    4.91724014e+01   -1.46526021e+02    6.68663343e+01   |    4.91724014e+01   -1.46526021e+02    6.68663343e+01   
 35   -8.70005847e+00   -1.54580804e+01    1.91440235e+01   |   -8.70005847e+00   -1.54580804e+01    1.91440235e+01   
 36    1.45319992e+01   -2.31607605e+01    2.69016671e+01   |    1.45319992e+01   -2.31607605e+01    2.69016671e+01   
 37   -1.45204375e+01   -4.85911601e+01    4.26756450e+01   |   -1.45204375e+01   -4.85911601e+01    4.26756450e+01   
 38   -2.27853353e+01   -1.58958404e+01   -1.57374694e+01   |   -2.27853353e+01   -1.58958404e+01   -1.57374694e+01   
 39   -1.60715395e+01   -1.60143915e+01    4.08596731e+01   |   -1.60715395e+01   -1.60143915e+01    4.08596731e+01   
 40    1.71477972e+01   -1.24993874e+01   -1.30879455e+00   |    1.71477972e+01   -1.24993874e+01   -1.30879455e+00   
 41   -5.11824238e+01    6.54309401e+01   -2.91011545e+01   |   -5.11824238e+01    6.54309401e+01   -2.91011545e+01   
 42   -4.09605771e+01    1.65425202e+00    1.94680623e+01   |   -4.09605771e+01    1.65425202e+00    1.94680623e+01   
 43    1.14006152e+01    2.25369781e+01    1.48553907e+01   |    1.14006152e+01    2.25369781e+01    1.48553907e+01   
 44    4.44253395e+01   -7.40701524e+01    3.78699368e+01   |    4.44253395e+01   -7.40701524e+01    3.78699368e+01   
 45   -2.85785514e-01    7.71954196e-01   -5.08428042e-02   |   -2.85785514e-01    7.71954196e-01   -5.08428042e-02   
 46    1.91822740e+01    4.87758091e+01   -3.22089610e+01   |    1.91822740e+01    4.87758091e+01   -3.22089610e+01   
 47    3.31978851e+00    2.29807326e+00    2.06389594e+00   |    3.31978851e+00    2.29807326e+00    2.06389594e+00   
 48   -1.91805157e+01    4.79192112e+00    1.14223964e+01   |   -1.91805157e+01    4.79192112e+00    1.14223964e+01   
 49   -3.40756046e-01   -1.82106670e+01   -8.30389984e+00   |   -3.40756046e-01   -1.82106670e+01   -8.30389984e+00   
 50    1.24117472e+01   -3.11858881e+01   -1.66820687e+01   |    1.24117472e+01   -3.11858881e+01   -1.66820687e+01   
 51    1.52275365e+01    1.73283520e+01    1.48438232e+01   |    1.52275365e+01    1.73283520e+01    1.48438232e+01   
 52    3.15852724e+01    4.23596833e+01   -1.07751973e+01   |    3.15852724e+01    4.23596833e+01   -1.07751973e+01   
 53   -5.21280496e+00   -5.97573519e+00    1.43743484e+01   |   -5.21280496e+00   -5.97573519e+00    1.43743484e+01   
 54   -3.32498243e+01    1.02357590e+01    8.08666855e+00   |   -3.32498243e+01    1.02357590e+01    8.08666855e+00   
 55    1.81100115e+01    5.06941494e+00    1.34270254e+01   |    1.81100115e+01    5.06941494e+00    1.34270254e+01   
 56    2.07822758e+01    1.01202901e+01   -9.92622892e+00   |    2.07822758e+01    1.01202901e+01   -9.92622892e+00   
 57    2.44096703e+01   -6.39907188e+01   -9.18463795e+01   |    2.44096703e+01   -6.39907188e+01   -9.18463795e+01   
 58    4.79208805e+01   -1.21705239e+01    2.73426824e+01   |    4.79208805e+01   -1.21705239e+01    2.73426824e+01   
 59   -6.34440954e-02   -3.13330207e-01    1.15215959e+00   |   -6.34440954e-02   -3.13330207e-01    1.15215959e+00   
 60    1.10724029e+01   -1.07821135e+01    1.37685554e+00   |    1.10724029e+01   -1.07821135e+01    1.37685554e+00   
 61    9.71068553e+00    5.91315270e+00    1.24248316e+01   |    9.71068553e+00    5.91315270e+00    1.24248316e+01   
 62   -3.57868422e+01    7.60885661e+01    6.69734143e+01   |   -3.57868422e+01    7.60885661e+01    6.69734143e+01   
 63    6.36152199e-01    9.91016197e-01    4.38172124e-01   |    6.36152199e-01    9.91016197e-01    4.38172124e-01   
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PASS: Energies and forces are the same to within a relative error of 1e-08
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=========================================================================================================================
To pass this verification check the model must be invariant with respect to
perumutation symmetry for all configurations it was able to compute.

Grade: P

Comment: Model energy has permutation symmetry for all configurations the model was able to compute.


=== Verification check vc-permutation-symmetry end (2019-07-11 07:55:56) ===