# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kim-Y-M-Kim-N-J-Lee-B-J--Mg-Al # implementation = 2009--Kim-Y-M--Mg-Al--LAMMPS--ipr1 # composition = Al3Mg # 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 1.961767559e+02 nan nan 0.92 1.851770642e+02 nan nan 0.94 1.747459024e+02 nan nan 0.96 1.648553943e+02 nan nan 0.98 1.554789839e+02 1.887908399e+02 nan 1.00 1.465913706e+02 1.790959470e+02 nan 1.02 1.381684494e+02 1.698555224e+02 1.830071877e+02 1.04 1.301872536e+02 1.610496520e+02 1.737039843e+02 1.06 1.226259016e+02 1.526592420e+02 1.648374880e+02 1.08 1.154635461e+02 1.446659856e+02 1.563880976e+02 1.10 1.086803267e+02 1.370523312e+02 1.483370637e+02 1.12 1.022573239e+02 1.298014523e+02 1.406664528e+02 1.14 9.617651643e+01 1.228972191e+02 1.333591124e+02 1.16 9.042074007e+01 1.163241710e+02 1.263986384e+02 1.18 8.497364871e+01 1.100674906e+02 1.197693428e+02 1.20 7.981967700e+01 1.041129788e+02 1.134562236e+02 1.22 7.494400489e+01 9.844703070e+01 1.074449355e+02 1.24 7.033252372e+01 9.305661271e+01 1.017217621e+02 1.26 6.597180377e+01 8.792924041e+01 9.627358887e+01 1.28 6.184906335e+01 8.305295724e+01 9.108787748e+01 1.30 5.795213915e+01 7.841631394e+01 8.615264142e+01 1.32 5.426945795e+01 7.400834886e+01 8.145642217e+01 1.34 5.079000952e+01 6.981856882e+01 7.698826671e+01 1.36 4.750332076e+01 6.583693081e+01 7.273770584e+01 1.38 4.439943085e+01 6.205382420e+01 6.869473340e+01 1.40 4.146886760e+01 5.846005366e+01 6.484978638e+01 1.42 3.870262474e+01 5.504682266e+01 6.119372592e+01 1.44 3.609214024e+01 5.180571754e+01 5.771781898e+01 1.46 3.362927556e+01 4.872869216e+01 5.441372090e+01 1.48 3.130629579e+01 4.580805313e+01 5.127345863e+01 1.50 2.911585072e+01 4.303644544e+01 4.828941466e+01 1.52 2.705095663e+01 4.040683878e+01 4.545431169e+01 1.54 2.510497902e+01 3.791251423e+01 4.276119785e+01 1.56 2.327161597e+01 3.554705146e+01 4.020343263e+01 1.58 2.154488237e+01 3.330431644e+01 3.777467336e+01 1.60 1.991909471e+01 3.117844955e+01 3.546886225e+01 1.62 1.838885670e+01 2.916385414e+01 3.328021402e+01 1.64 1.694904542e+01 2.725518557e+01 3.120320404e+01 1.66 1.559479815e+01 2.544734058e+01 2.923255693e+01 1.68 1.432149977e+01 2.373544712e+01 2.736323568e+01 1.70 1.312477078e+01 2.211485455e+01 2.559043130e+01 1.72 1.200045583e+01 2.058112422e+01 2.390955273e+01 1.74 1.094461274e+01 1.913002042e+01 2.231621737e+01 1.76 9.953502129e+00 1.775750163e+01 2.080624192e+01 1.78 9.023577424e+00 1.645971223e+01 1.937563359e+01 1.80 8.151475384e+00 1.523297439e+01 1.802058175e+01 1.82 7.334007046e+00 1.407378040e+01 1.673744990e+01 1.84 6.568149109e+00 1.297878523e+01 1.552276797e+01 1.86 5.851035711e+00 1.194479947e+01 1.437322502e+01 1.88 5.179950594e+00 1.096878244e+01 1.328566214e+01 1.90 4.552319648e+00 1.004783566e+01 1.225706576e+01 1.92 3.965703798e+00 9.179196620e+00 1.128456118e+01 1.94 3.417792235e+00 8.360232684e+00 1.036540642e+01 1.96 2.906395971e+00 7.588435365e+00 9.496986312e+00 1.98 2.429441699e+00 6.861414766e+00 8.676806868e+00 2.00 1.984965950e+00 6.176894280e+00 7.902489844e+00 2.02 1.571109533e+00 5.532705510e+00 7.171767603e+00 2.04 1.186112240e+00 4.926783392e+00 6.482478154e+00 2.06 8.283078139e-01 4.357161535e+00 5.832560420e+00 2.08 4.961191525e-01 3.821967752e+00 5.220049723e+00 2.10 1.880537535e-01 3.319419782e+00 4.643073444e+00 2.12 -9.730061934e-02 2.847821194e+00 4.099846886e+00 2.14 -3.612800599e-01 2.405557474e+00 3.588669316e+00 2.16 -6.051484376e-01 1.991092265e+00 3.107920171e+00 2.18 -8.301011250e-01 1.602963787e+00 2.656055443e+00 2.20 -1.037268537e+00 1.239781399e+00 2.231604210e+00 2.22 -1.227719501e+00 9.002223151e-01 1.833165322e+00 2.24 -1.402464451e+00 5.830284699e-01 1.459404241e+00 2.26 -1.562458472e+00 2.870035086e-01 1.109050004e+00 2.28 -1.708604182e+00 1.100991945e-02 7.808923329e-01 2.30 -1.841754483e+00 -2.460337086e-01 4.737788678e-01 2.32 -1.962715158e+00 -4.851553133e-01 1.866125153e-01 2.34 -2.072247351e+00 -7.073318618e-01 -8.165107571e-02 2.36 -2.171069914e+00 -9.134917458e-01 -3.320059320e-01 2.38 -2.259861637e+00 -1.104517073e+00 -5.653980706e-01 2.40 -2.339263370e+00 -1.281245848e+00 -7.827277015e-01 2.42 -2.409880027e+00 -1.444474063e+00 -9.848513410e-01 2.44 -2.472282499e+00 -1.594957692e+00 -1.172583830e+00 2.46 -2.527009461e+00 -1.733414588e+00 -1.346700256e+00 2.48 -2.574569092e+00 -1.860526311e+00 -1.507937797e+00 2.50 -2.615440704e+00 -1.976939852e+00 -1.656997484e+00 2.52 -2.650076285e+00 -2.083269296e+00 -1.794545872e+00 2.54 -2.678901974e+00 -2.180097398e+00 -1.921216656e+00 2.56 -2.702319441e+00 -2.267977095e+00 -2.037612196e+00 2.58 -2.720707213e+00 -2.347432940e+00 -2.144304986e+00 2.60 -2.734421925e+00 -2.418962480e+00 -2.241839052e+00 2.62 -2.743799500e+00 -2.483037560e+00 -2.330731284e+00 2.64 -2.749156279e+00 -2.540105575e+00 -2.411472720e+00 2.66 -2.750790081e+00 -2.590590662e+00 -2.484529754e+00 2.68 -2.748981218e+00 -2.634894830e+00 -2.550345306e+00 2.70 -2.743993447e+00 -2.673399050e+00 -2.609339931e+00 2.72 -2.736074879e+00 -2.706464281e+00 -2.661912876e+00 2.74 -2.725459523e+00 -2.734432458e+00 -2.708443094e+00 2.76 -2.712372241e+00 -2.757627429e+00 -2.749290212e+00 2.78 -2.697012063e+00 -2.776355846e+00 -2.784795448e+00 2.80 -2.679567347e+00 -2.790908019e+00 -2.815282495e+00 2.82 -2.660226226e+00 -2.801558729e+00 -2.841058357e+00 2.84 -2.639159484e+00 -2.808567996e+00 -2.862414153e+00 2.86 -2.616528738e+00 -2.812181819e+00 -2.879625881e+00 2.88 -2.592487847e+00 -2.812632876e+00 -2.892955144e+00 2.90 -2.567168086e+00 -2.810141192e+00 -2.902649851e+00 2.92 -2.540704930e+00 -2.804914776e+00 -2.908944875e+00 2.94 -2.513223563e+00 -2.797150225e+00 -2.912062691e+00 2.96 -2.484839891e+00 -2.787033298e+00 -2.912213976e+00 2.98 -2.455662388e+00 -2.774739472e+00 -2.909598187e+00 3.00 -2.425792522e+00 -2.760434456e+00 -2.904404109e+00 3.02 -2.395325146e+00 -2.744274692e+00 -2.896810377e+00 3.04 -2.364348882e+00 -2.726407831e+00 -2.886985979e+00 3.06 -2.332946474e+00 -2.706973176e+00 -2.875090727e+00 3.08 -2.301195122e+00 -2.686102108e+00 -2.861275716e+00 3.10 -2.269166802e+00 -2.663918507e+00 -2.845683750e+00 3.12 -2.236928567e+00 -2.640539129e+00 -2.828449758e+00 3.14 -2.204542831e+00 -2.616073974e+00 -2.809701187e+00 3.16 -2.172067636e+00 -2.590626639e+00 -2.789558375e+00 3.18 -2.139556907e+00 -2.564294649e+00 -2.768134904e+00 3.20 -2.107060688e+00 -2.537169776e+00 -2.745537947e+00 3.22 -2.074625373e+00 -2.509338337e+00 -2.721868585e+00 3.24 -2.042293917e+00 -2.480881482e+00 -2.697222117e+00 3.26 -2.010106035e+00 -2.451875464e+00 -2.671688355e+00 3.28 -1.978098397e+00 -2.422391899e+00 -2.645351902e+00 3.30 -1.946304804e+00 -2.392498010e+00 -2.618292418e+00 3.32 -1.914756356e+00 -2.362256859e+00 -2.590584873e+00 3.34 -1.883481618e+00 -2.331727571e+00 -2.562299790e+00 3.36 -1.852506761e+00 -2.300965542e+00 -2.533503472e+00 3.38 -1.821855712e+00 -2.270022639e+00 -2.504258223e+00 3.40 -1.791550283e+00 -2.238947389e+00 -2.474622553e+00 3.42 -1.761610300e+00 -2.207785160e+00 -2.444651380e+00 3.44 -1.732053718e+00 -2.176578330e+00 -2.414396212e+00 3.46 -1.702896735e+00 -2.145366451e+00 -2.383905334e+00 3.48 -1.674153897e+00 -2.114186401e+00 -2.353239233e+00 3.50 -1.645838195e+00 -2.083072528e+00 -2.322811655e+00 3.52 -1.617961161e+00 -2.052056793e+00 -2.293526601e+00 3.54 -1.590532951e+00 -2.021168896e+00 -2.263790605e+00 3.56 -1.563562431e+00 -1.990436406e+00 -2.232665037e+00 3.58 -1.537057253e+00 -1.959884871e+00 -2.201536675e+00 3.60 -1.511023924e+00 -1.929537937e+00 -2.170435479e+00 3.62 -1.485467879e+00 -1.899417451e+00 -2.139389333e+00 3.64 -1.460393540e+00 -1.869543559e+00 -2.108424161e+00 3.66 -1.435804377e+00 -1.839934804e+00 -2.077564029e+00 3.68 -1.411702967e+00 -1.810608214e+00 -2.046831257e+00 3.70 -1.388091038e+00 -1.781579390e+00 -2.016246507e+00 3.72 -1.364969526e+00 -1.752862583e+00 -1.985828879e+00 3.74 -1.342338615e+00 -1.724470770e+00 -1.955596002e+00 3.76 -1.320197783e+00 -1.696415730e+00 -1.925564112e+00 3.78 -1.298545838e+00 -1.668708109e+00 -1.895748132e+00 3.80 -1.277380957e+00 -1.641357486e+00 -1.866161751e+00 3.82 -1.256700719e+00 -1.614372430e+00 -1.836817490e+00 3.84 -1.236502137e+00 -1.587760565e+00 -1.807726773e+00 3.86 -1.216781689e+00 -1.561528617e+00 -1.778899989e+00 3.88 -1.197535343e+00 -1.535682468e+00 -1.750346553e+00 3.90 -1.178758584e+00 -1.510227206e+00 -1.722074967e+00 3.92 -1.160446436e+00 -1.485167168e+00 -1.694092869e+00 3.94 -1.142593486e+00 -1.460505985e+00 -1.666407087e+00 3.96 -1.125193903e+00 -1.436246620e+00 -1.639023691e+00 3.98 -1.108241456e+00 -1.412391409e+00 -1.611948034e+00 4.00 -1.091729532e+00 -1.388942096e+00 -1.585184802e+00 4.02 -1.076175390e+00 -1.365899864e+00 -1.558738049e+00 4.04 -1.069156865e+00 -1.343265371e+00 -1.532611244e+00 4.06 -1.088135072e+00 -1.321038778e+00 -1.506807300e+00 4.08 -1.116289745e+00 -1.299219776e+00 -1.481328617e+00 4.10 -1.103248724e+00 -1.277807613e+00 -1.456177111e+00 4.12 -1.089495869e+00 -1.256801120e+00 -1.431354246e+00 4.14 -1.075943445e+00 -1.236198730e+00 -1.406861066e+00 4.16 -1.062584885e+00 -1.215998505e+00 -1.382698221e+00 4.18 -1.049413769e+00 -1.196198152e+00 -1.358865995e+00 4.20 -1.036423846e+00 -1.176795044e+00 -1.335364329e+00 4.22 -1.023609050e+00 -1.157786237e+00 -1.312192850e+00 4.24 -1.010963518e+00 -1.139168486e+00 -1.289350888e+00 4.26 -9.984816018e-01 -1.121061958e+00 -1.266837501e+00 4.28 -9.861578805e-01 -1.105920998e+00 -1.244651492e+00 4.30 -9.739871710e-01 -1.097627016e+00 -1.222791429e+00 4.32 -9.619645368e-01 -1.081925430e+00 -1.201255667e+00 4.34 -9.500852943e-01 -1.061439023e+00 -1.180042357e+00 4.36 -9.383450182e-01 -1.046178611e+00 -1.159149468e+00 4.38 -9.267395438e-01 -1.031238280e+00 -1.138574801e+00 4.40 -9.149052790e-01 -1.016612069e+00 -1.118316000e+00 4.42 -8.954122309e-01 -1.002293862e+00 -1.098370569e+00 4.44 -8.265869524e-01 -9.882773968e-01 -1.078735881e+00 4.46 -5.053934800e-01 -9.745562710e-01 -1.059409194e+00 4.48 -2.792017515e-01 -9.611239560e-01 -1.040387658e+00 4.50 -2.735485807e-01 -9.479738048e-01 -1.021668327e+00 4.52 -2.680086728e-01 -9.350990621e-01 -1.003248169e+00 4.54 -2.625797717e-01 -9.224928749e-01 -9.851240749e-01 4.56 -2.572596632e-01 -9.101483021e-01 -9.672928667e-01 4.58 -2.520461748e-01 -8.980583254e-01 -9.497513060e-01 4.60 -2.469371751e-01 -8.862158602e-01 -9.324961013e-01 4.62 -2.419305731e-01 -8.746137670e-01 -9.155239151e-01 4.64 -2.370243184e-01 -8.632448625e-01 -8.988313705e-01 4.66 -2.322163996e-01 -8.521019327e-01 -8.824150574e-01 4.68 -2.275048449e-01 -8.411777446e-01 -8.662715383e-01 4.70 -2.228877207e-01 -8.304650598e-01 -8.503973534e-01 4.72 -2.183631314e-01 -8.199566483e-01 -8.347890262e-01 4.74 -2.139292187e-01 -8.096453024e-01 -8.194430675e-01 4.76 -2.095841612e-01 -7.995238516e-01 -8.043559805e-01 4.78 -2.053261736e-01 -7.895851777e-01 -7.895242641e-01 4.80 -2.011535063e-01 -7.798222304e-01 -7.749444172e-01 4.82 -1.970644446e-01 -7.702280436e-01 -7.606129422e-01 4.84 -1.930573082e-01 -7.607957514e-01 -7.465263478e-01 4.86 -1.891304507e-01 -7.515186049e-01 -7.326811525e-01 4.88 -1.852822588e-01 -7.423899889e-01 -7.190738873e-01 4.90 -1.815111518e-01 -7.334034382e-01 -7.057010978e-01 4.92 -1.774021449e-01 -7.239216740e-01 -6.919379519e-01 4.94 -1.677291078e-01 -7.053511653e-01 -6.694331037e-01 4.96 -1.390498076e-01 -6.442640229e-01 -6.065606717e-01 4.98 -7.495579560e-02 -4.307645259e-01 -4.019251455e-01 5.00 -9.347525443e-23 -5.289553543e-22 -5.480003009e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00