# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Wu-C-Lee-B-J-Su-X--Ni-Fe # implementation = 2017--Wu-C--Ni-Fe--LAMMPS--ipr1 # composition = Fe3Ni # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 5.027993674e+02 nan nan 0.80 4.677106519e+02 nan nan 0.82 4.349311037e+02 nan nan 0.84 4.043122374e+02 5.089624826e+02 nan 0.86 3.757152561e+02 4.763399943e+02 5.344697683e+02 0.88 3.490103866e+02 4.456857683e+02 5.009763191e+02 0.90 3.240762601e+02 4.168839513e+02 4.694731026e+02 0.92 3.007993372e+02 3.898256248e+02 4.398436876e+02 0.94 2.790733744e+02 3.644083619e+02 4.119786039e+02 0.96 2.587989292e+02 3.405358149e+02 3.857749062e+02 0.98 2.398829024e+02 3.181173293e+02 3.611357641e+02 1.00 2.222381132e+02 2.970675858e+02 3.379700792e+02 1.02 2.057829063e+02 2.773062661e+02 3.161921256e+02 1.04 1.904407878e+02 2.587577420e+02 2.957212151e+02 1.06 1.761400881e+02 2.413507862e+02 2.764813833e+02 1.08 1.628136480e+02 2.250183033e+02 2.584010979e+02 1.10 1.503985293e+02 2.096970791e+02 2.414129857e+02 1.12 1.388357441e+02 1.953275469e+02 2.254535779e+02 1.14 1.280700048e+02 1.818535702e+02 2.104630734e+02 1.16 1.180494898e+02 1.692222396e+02 1.963851169e+02 1.18 1.087256266e+02 1.573836829e+02 1.831665922e+02 1.20 1.000528887e+02 1.462908884e+02 1.707574296e+02 1.22 9.198860669e+01 1.358995390e+02 1.591104253e+02 1.24 8.449279095e+01 1.261678571e+02 1.481810730e+02 1.26 7.752796670e+01 1.170564591e+02 1.379274065e+02 1.28 7.105901911e+01 1.085282193e+02 1.283098518e+02 1.30 6.505304845e+01 1.005481414e+02 1.192910891e+02 1.32 5.947923430e+01 9.308323886e+01 1.108359233e+02 1.34 5.430870823e+01 8.610242093e+01 1.029111627e+02 1.36 4.951443435e+01 7.957638680e+01 9.548550436e+01 1.38 4.507109716e+01 7.347752497e+01 8.852942762e+01 1.40 4.095499623e+01 6.777981882e+01 8.201509303e+01 1.42 3.714394733e+01 6.245875747e+01 7.591624766e+01 1.44 3.361718944e+01 5.749125163e+01 7.020813605e+01 1.46 3.035529737e+01 5.285555427e+01 6.486741618e+01 1.48 2.734009965e+01 4.853118563e+01 5.987208039e+01 1.50 2.455460129e+01 4.449886241e+01 5.520138085e+01 1.52 2.198291114e+01 4.074043086e+01 5.083575916e+01 1.54 1.961017364e+01 3.723880355e+01 4.675678015e+01 1.56 1.742250456e+01 3.397789957e+01 4.294706911e+01 1.58 1.540693062e+01 3.094258803e+01 3.939025283e+01 1.60 1.355133269e+01 2.811863460e+01 3.607090366e+01 1.62 1.184439241e+01 2.549265098e+01 3.297448688e+01 1.64 1.027554191e+01 2.305204705e+01 3.008731083e+01 1.66 8.834916696e+00 2.078498574e+01 2.739647988e+01 1.68 7.513311172e+00 1.868034023e+01 2.488984992e+01 1.70 6.302136997e+00 1.672765353e+01 2.255598631e+01 1.72 5.193383856e+00 1.491710023e+01 2.038412417e+01 1.74 4.179582633e+00 1.323945037e+01 1.836413076e+01 1.76 3.253770810e+00 1.168603524e+01 1.648646999e+01 1.78 2.409459960e+00 1.024871509e+01 1.474216879e+01 1.80 1.640605236e+00 8.919848528e+00 1.312278545e+01 1.82 9.415766985e-01 7.692263696e+00 1.162037946e+01 1.84 3.071324312e-01 6.559230965e+00 1.022748327e+01 1.86 -2.676067193e-01 5.514437144e+00 8.937075354e+00 1.88 -7.871808240e-01 4.551961134e+00 7.742554887e+00 1.90 -1.255813098e+00 3.666250915e+00 6.637717760e+00 1.92 -1.677430742e+00 2.852101816e+00 5.616733912e+00 1.94 -2.055684483e+00 2.104635999e+00 4.674125912e+00 1.96 -2.393966901e+00 1.419283083e+00 3.804748699e+00 1.98 -2.695429591e+00 7.917618746e-01 3.003770467e+00 2.00 -2.962999260e+00 2.180630929e-01 2.266654571e+00 2.02 -3.199392792e+00 -3.055668908e-01 1.589142462e+00 2.04 -3.407131366e+00 -7.826414256e-01 9.672375347e-01 2.06 -3.588553675e+00 -1.216448054e+00 3.971899033e-01 2.08 -3.745828290e+00 -1.610062179e+00 -1.245180059e-01 2.10 -3.880964735e+00 -1.966359936e+00 -6.011850383e-01 2.12 -3.995814038e+00 -2.288030332e+00 -1.035904151e+00 2.14 -4.092101595e+00 -2.577586683e+00 -1.431574526e+00 2.16 -4.171459470e+00 -2.837377387e+00 -1.790913009e+00 2.18 -4.235340855e+00 -3.069596085e+00 -2.116464906e+00 2.20 -4.285112191e+00 -3.276291207e+00 -2.410614161e+00 2.22 -4.322036699e+00 -3.459374988e+00 -2.675592982e+00 2.24 -4.347281600e+00 -3.620631931e+00 -2.913490891e+00 2.26 -4.361924867e+00 -3.761726792e+00 -3.126263288e+00 2.28 -4.366961964e+00 -3.884212074e+00 -3.315739508e+00 2.30 -4.363312380e+00 -3.989535099e+00 -3.483630434e+00 2.32 -4.351818979e+00 -4.079044640e+00 -3.631535658e+00 2.34 -4.333262229e+00 -4.153997169e+00 -3.760950243e+00 2.36 -4.308361377e+00 -4.215562728e+00 -3.873271094e+00 2.38 -4.277777438e+00 -4.264830447e+00 -3.969802953e+00 2.40 -4.242118350e+00 -4.302811953e+00 -4.051764061e+00 2.42 -4.201942841e+00 -4.330365110e+00 -4.120291475e+00 2.44 -4.157764032e+00 -4.348148198e+00 -4.176446092e+00 2.46 -4.110052793e+00 -4.357531475e+00 -4.221217366e+00 2.48 -4.059240866e+00 -4.359172628e+00 -4.255527757e+00 2.50 -4.005723772e+00 -4.353621207e+00 -4.280236914e+00 2.52 -3.949863520e+00 -4.341528763e+00 -4.296145618e+00 2.54 -3.891991120e+00 -4.323499584e+00 -4.303999480e+00 2.56 -3.832408926e+00 -4.300093820e+00 -4.304492435e+00 2.58 -3.771392810e+00 -4.271830420e+00 -4.298270016e+00 2.60 -3.709194182e+00 -4.239189882e+00 -4.285932437e+00 2.62 -3.646041873e+00 -4.202616829e+00 -4.268037496e+00 2.64 -3.582143874e+00 -4.162522426e+00 -4.245103292e+00 2.66 -3.517688959e+00 -4.119286644e+00 -4.217610793e+00 2.68 -3.452848187e+00 -4.073260379e+00 -4.186006238e+00 2.70 -3.387776293e+00 -4.024767440e+00 -4.150703396e+00 2.72 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