# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Mo3Zr # 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 2025-12-17 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 5.812149986e+02 nan nan 0.98 5.314207801e+02 nan nan 1.00 4.863370723e+02 nan nan 1.02 4.450736213e+02 nan nan 1.04 4.075156889e+02 nan nan 1.06 3.733080971e+02 5.494013863e+02 nan 1.08 3.423704156e+02 5.067037667e+02 5.723516701e+02 1.10 3.142425581e+02 4.682762904e+02 5.293226961e+02 1.12 2.887109380e+02 4.325327527e+02 4.894144748e+02 1.14 2.653614809e+02 3.994051569e+02 4.522376511e+02 1.16 2.440917148e+02 3.686206811e+02 4.182633205e+02 1.18 2.246626393e+02 3.400454652e+02 3.864334408e+02 1.20 2.070545793e+02 3.138761487e+02 3.578746452e+02 1.22 1.905367896e+02 2.897829521e+02 3.315786526e+02 1.24 1.753303521e+02 2.675884375e+02 3.071870497e+02 1.26 1.613436968e+02 2.473099849e+02 2.850552339e+02 1.28 1.483065041e+02 2.288686675e+02 2.645648903e+02 1.30 1.364357190e+02 2.120802523e+02 2.450705136e+02 1.32 1.256380792e+02 1.966469670e+02 2.269842029e+02 1.34 1.157962737e+02 1.822473693e+02 2.104300092e+02 1.36 1.066506682e+02 1.687720436e+02 1.952874579e+02 1.38 9.820588793e+01 1.562780501e+02 1.813242686e+02 1.40 9.029531458e+01 1.448354493e+02 1.682231373e+02 1.42 8.307817512e+01 1.343066840e+02 1.559635892e+02 1.44 7.655004743e+01 1.246190897e+02 1.447046547e+02 1.46 7.061814102e+01 1.155479758e+02 1.343834800e+02 1.48 6.497823384e+01 1.068822617e+02 1.248585719e+02 1.50 5.978964294e+01 9.886890250e+01 1.160069285e+02 1.52 5.494557227e+01 9.159275768e+01 1.077316084e+02 1.54 5.043494133e+01 8.482909368e+01 9.992342890e+01 1.56 4.623539455e+01 7.856214221e+01 9.262220100e+01 1.58 4.232994063e+01 7.272253527e+01 8.583857672e+01 1.60 3.871992496e+01 6.727779292e+01 7.966947374e+01 1.62 3.536780891e+01 6.213181882e+01 7.400204788e+01 1.64 3.226313119e+01 5.739869699e+01 6.878295824e+01 1.66 2.936442356e+01 5.310594627e+01 6.399959644e+01 1.68 2.669348023e+01 4.916222497e+01 5.945119555e+01 1.70 2.431255235e+01 4.550142492e+01 5.506433288e+01 1.72 2.219696320e+01 4.213564492e+01 5.100939188e+01 1.74 2.028611599e+01 3.908686878e+01 4.732910412e+01 1.76 1.855327021e+01 3.626870099e+01 4.387292621e+01 1.78 1.698409900e+01 3.355734533e+01 4.062180816e+01 1.80 1.554567938e+01 3.097370630e+01 3.765515078e+01 1.82 1.418021463e+01 2.851961820e+01 3.480975457e+01 1.84 1.295684028e+01 2.634905549e+01 3.221178481e+01 1.86 1.183876117e+01 2.431721396e+01 2.974070044e+01 1.88 1.080582908e+01 2.242993241e+01 2.748105987e+01 1.90 9.850531558e+00 2.071760872e+01 2.539010292e+01 1.92 8.946408149e+00 1.913868686e+01 2.342408847e+01 1.94 8.069131416e+00 1.761827713e+01 2.155960860e+01 1.96 7.189881760e+00 1.612674628e+01 1.983048103e+01 1.98 6.291055015e+00 1.469746023e+01 1.824613328e+01 2.00 5.390775556e+00 1.336590082e+01 1.678622100e+01 2.02 4.518028341e+00 1.214063041e+01 1.542557367e+01 2.04 3.689958145e+00 1.099449639e+01 1.418622588e+01 2.06 2.378065839e+00 9.923098752e+00 1.304669898e+01 2.08 1.183940116e+00 8.935367806e+00 1.197655074e+01 2.10 1.588947553e-01 8.027169250e+00 1.097196776e+01 2.12 -6.522848383e-01 7.196079385e+00 1.003925666e+01 2.14 -1.363498630e+00 6.402763161e+00 9.184733522e+00 2.16 -1.987371055e+00 5.615680374e+00 8.412210403e+00 2.18 -2.527210118e+00 4.853091571e+00 7.689623104e+00 2.20 -2.991022983e+00 4.053112435e+00 6.968249206e+00 2.22 -3.398785568e+00 3.000977575e+00 6.221063099e+00 2.24 -3.766444745e+00 2.057304490e+00 5.459228379e+00 2.26 -4.104420433e+00 1.241771511e+00 4.706130571e+00 2.28 -4.411686180e+00 4.668499329e-01 3.639515639e+00 2.30 -4.702457949e+00 -2.397010507e-01 2.461421525e+00 2.32 -4.964847290e+00 -9.018093694e-01 1.285361106e+00 2.34 -5.205838400e+00 -1.530363362e+00 3.562536418e-01 2.36 -5.433863418e+00 -2.105092503e+00 -3.368251986e-01 2.38 -5.647909348e+00 -2.640940254e+00 -9.885539721e-01 2.40 -5.848937447e+00 -3.114593849e+00 -1.580086047e+00 2.42 -6.025751241e+00 -3.547817510e+00 -2.107654030e+00 2.44 -6.176669908e+00 -3.951721192e+00 -2.569762230e+00 2.46 -6.292566380e+00 -4.307571222e+00 -2.976845335e+00 2.48 -6.376114055e+00 -4.614145907e+00 -3.347122970e+00 2.50 -6.430013392e+00 -4.889456906e+00 -3.684577817e+00 2.52 -6.462574518e+00 -5.139853084e+00 -3.978777385e+00 2.54 -6.474589602e+00 -5.370081496e+00 -4.225201079e+00 2.56 -6.474251579e+00 -5.574671784e+00 -4.429791108e+00 2.58 -6.460726777e+00 -5.755161533e+00 -4.610876707e+00 2.60 -6.430468648e+00 -5.924967717e+00 -4.786447575e+00 2.62 -6.399856149e+00 -6.089439984e+00 -4.963802392e+00 2.64 -6.372092163e+00 -6.242783640e+00 -5.137947343e+00 2.66 -6.352351235e+00 -6.379395804e+00 -5.300461603e+00 2.68 -6.333388338e+00 -6.487921896e+00 -5.458731308e+00 2.70 -6.288706485e+00 -6.565372585e+00 -5.630444277e+00 2.72 -6.218559811e+00 -6.617954169e+00 -5.828294839e+00 2.74 -6.122782645e+00 -6.652001872e+00 -6.015872863e+00 2.76 -6.022240756e+00 -6.675607014e+00 -6.134396467e+00 2.78 -5.936699095e+00 -6.692888542e+00 -6.226608597e+00 2.80 -5.854364413e+00 -6.701713966e+00 -6.298394860e+00 2.82 -5.771350925e+00 -6.697558223e+00 -6.356715641e+00 2.84 -5.687275648e+00 -6.675010282e+00 -6.404494433e+00 2.86 -5.597747692e+00 -6.635567933e+00 -6.444204949e+00 2.88 -5.498241630e+00 -6.588829150e+00 -6.481031961e+00 2.90 -5.385431645e+00 -6.544145043e+00 -6.520289629e+00 2.92 -5.260975035e+00 -6.494064738e+00 -6.558911201e+00 2.94 -5.132350165e+00 -6.428461711e+00 -6.584206705e+00 2.96 -5.006507651e+00 -6.356032125e+00 -6.584415952e+00 2.98 -4.890364545e+00 -6.285138961e+00 -6.558515907e+00 3.00 -4.785053164e+00 -6.212212680e+00 -6.514272185e+00 3.02 -4.685437047e+00 -6.128772449e+00 -6.456115967e+00 3.04 -4.585905616e+00 -6.026535778e+00 -6.386182046e+00 3.06 -4.478320707e+00 -5.907055341e+00 -6.310864507e+00 3.08 -4.358321284e+00 -5.777872189e+00 -6.241510638e+00 3.10 -4.224927328e+00 -5.650681331e+00 -6.191513934e+00 3.12 -4.065603938e+00 -5.528137537e+00 -6.147191386e+00 3.14 -3.879966749e+00 -5.397558048e+00 -6.088864358e+00 3.16 -3.690895446e+00 -5.253208699e+00 -6.018546368e+00 3.18 -3.518069190e+00 -5.092273363e+00 -5.938577088e+00 3.20 -3.361777926e+00 -4.921415055e+00 -5.851412413e+00 3.22 -3.205264901e+00 -4.764039617e+00 -5.760490765e+00 3.24 -3.029200047e+00 -4.671547489e+00 -5.670102757e+00 3.26 -2.826032887e+00 -4.609390147e+00 -5.584769065e+00 3.28 -2.624742200e+00 -4.534329561e+00 -5.508395831e+00 3.30 -2.463759077e+00 -4.439777190e+00 -5.436844594e+00 3.32 -2.368733418e+00 -4.323497188e+00 -5.360377856e+00 3.34 -2.283923351e+00 -4.187560951e+00 -5.268824292e+00 3.36 -2.184282763e+00 -4.037442652e+00 -5.152677423e+00 3.38 -2.073140628e+00 -3.880329178e+00 -5.014682773e+00 3.40 -1.966965315e+00 -3.724248279e+00 -4.865754742e+00 3.42 -1.880720566e+00 -3.575040685e+00 -4.714314389e+00 3.44 -1.806327932e+00 -3.435016001e+00 -4.564842171e+00 3.46 -1.736273021e+00 -3.307482075e+00 -4.408163359e+00 3.48 -1.667106525e+00 -3.195559438e+00 -4.225239969e+00 3.50 -1.602572598e+00 -3.097106316e+00 -3.996087832e+00 3.52 -1.545209698e+00 -3.006385354e+00 -3.704947380e+00 3.54 -1.496121598e+00 -2.918130443e+00 -3.407300289e+00 3.56 -1.455474490e+00 -2.827582004e+00 -3.148905133e+00 3.58 -1.423115407e+00 -2.735517218e+00 -2.984181918e+00 3.60 -1.397661131e+00 -2.645586334e+00 -2.876352525e+00 3.62 -1.377549742e+00 -2.561444916e+00 -2.778409267e+00 3.64 -1.361835986e+00 -2.487570480e+00 -2.693093484e+00 3.66 -1.349439223e+00 -2.423378493e+00 -2.622450242e+00 3.68 -1.339008603e+00 -2.360309082e+00 -2.564446633e+00 3.70 -1.328885966e+00 -2.288133408e+00 -2.514405638e+00 3.72 -1.317431002e+00 -2.196608324e+00 -2.467825504e+00 3.74 -1.303002287e+00 -2.085554656e+00 -2.420199420e+00 3.76 -1.284067900e+00 -1.970290597e+00 -2.366480111e+00 3.78 -1.260238107e+00 -1.867934981e+00 -2.301892659e+00 3.80 -1.231872037e+00 -1.795664225e+00 -2.223230454e+00 3.82 -1.200295010e+00 -1.730080963e+00 -2.132564701e+00 3.84 -1.167149932e+00 -1.659224957e+00 -2.032452333e+00 3.86 -1.134159984e+00 -1.586978331e+00 -1.925028318e+00 3.88 -1.102854015e+00 -1.516968195e+00 -1.814972144e+00 3.90 -1.074571365e+00 -1.451955123e+00 -1.708759745e+00 3.92 -1.050952523e+00 -1.394447200e+00 -1.613402791e+00 3.94 -1.033401911e+00 -1.345670991e+00 -1.534297184e+00 3.96 -1.022474748e+00 -1.303933569e+00 -1.471686255e+00 3.98 -1.018461282e+00 -1.267218643e+00 -1.424644765e+00 4.00 -1.020320564e+00 -1.234177163e+00 -1.392059193e+00 4.02 -1.025662711e+00 -1.204247213e+00 -1.372303214e+00 4.04 -1.031761493e+00 -1.176943929e+00 -1.361292733e+00 4.06 -1.035861434e+00 -1.151829360e+00 -1.354229888e+00 4.08 -1.035474469e+00 -1.129102929e+00 -1.347407327e+00 4.10 -1.029218021e+00 -1.109585552e+00 -1.338127867e+00 4.12 -1.017344905e+00 -1.093558840e+00 -1.324800407e+00 4.14 -1.001299044e+00 -1.080839951e+00 -1.308622990e+00 4.16 -9.828750100e-01 -1.071251092e+00 -1.291234690e+00 4.18 -9.638938080e-01 -1.064623365e+00 -1.274235435e+00 4.20 -9.461394718e-01 -1.060795144e+00 -1.259173444e+00 4.22 -9.309329704e-01 -1.059598218e+00 -1.246025517e+00 4.24 -9.192416922e-01 -1.060580989e+00 -1.232557794e+00 4.26 -9.111471660e-01 -1.063197766e+00 -1.216360521e+00 4.28 -9.064103395e-01 -1.066888049e+00 -1.194966667e+00 4.30 -9.047796724e-01 -1.071073415e+00 -1.166143047e+00 4.32 -9.055918108e-01 -1.075157961e+00 -1.132289860e+00 4.34 -9.075209624e-01 -1.078611162e+00 -1.099282468e+00 4.36 -9.090747072e-01 -1.081207296e+00 -1.073342564e+00 4.38 -9.090063341e-01 -1.082732057e+00 -1.061174945e+00 4.40 -9.062996135e-01 -1.082978856e+00 -1.060280826e+00 4.42 -9.001279358e-01 -1.081754716e+00 -1.058947657e+00 4.44 -8.907780731e-01 -1.078881953e+00 -1.056773561e+00 4.46 -8.789637253e-01 -1.074248618e+00 -1.053526977e+00 4.48 -8.654476122e-01 -1.067999689e+00 -1.048816792e+00 4.50 -8.507074843e-01 -1.060272523e+00 -1.042037227e+00 4.52 -8.348652522e-01 -1.051188871e+00 -1.032556207e+00 4.54 -8.182674907e-01 -1.040862474e+00 -1.019728627e+00 4.56 -8.015786728e-01 -1.029394198e+00 -1.002890039e+00 4.58 -7.854826631e-01 -1.016451891e+00 -9.813558460e-01 4.60 -7.707439341e-01 -1.000970766e+00 -9.545381059e-01 4.62 -7.590974412e-01 -9.826206049e-01 -9.231173791e-01 4.64 -7.524147954e-01 -9.615939744e-01 -8.886061985e-01 4.66 -7.499320618e-01 -9.380962864e-01 -8.525727535e-01 4.68 -7.499982918e-01 -9.123645387e-01 -8.166208492e-01 4.70 -7.509618405e-01 -8.852375107e-01 -7.823785568e-01 4.72 -7.510441283e-01 -8.582233564e-01 -7.514792838e-01 4.74 -7.475264870e-01 -8.327148461e-01 -7.252996364e-01 4.76 -7.390590721e-01 -8.093436035e-01 -7.040441652e-01 4.78 -7.266890779e-01 -7.885199623e-01 -6.875695467e-01 4.80 -7.116097904e-01 -7.706689111e-01 -6.757213511e-01 4.82 -6.950104636e-01 -7.562834738e-01 -6.683359200e-01 4.84 -6.781586184e-01 -7.458043950e-01 -6.652511025e-01 4.86 -6.623837386e-01 -7.396595387e-01 -6.663012800e-01 4.88 -6.464545225e-01 -7.380861429e-01 -6.710317169e-01 4.90 -6.281406442e-01 -7.410440807e-01 -6.785694464e-01 4.92 -6.051967086e-01 -7.482418462e-01 -6.880386917e-01 4.94 -5.753825937e-01 -7.580976549e-01 -6.985663170e-01 4.96 -5.366128106e-01 -7.686448200e-01 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