# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr # implementation = 2025--Sharifi-H--Cu-Cr--LAMMPS--ipr1 # composition = CrCu3 # 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 2025-07-01 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 6.100193649e+02 nan nan 0.92 5.539367265e+02 nan nan 0.94 5.017116920e+02 nan nan 0.96 4.536289087e+02 nan nan 0.98 4.097305596e+02 6.067614534e+02 nan 1.00 3.698012704e+02 5.581301914e+02 nan 1.02 3.336900042e+02 5.133124043e+02 5.683669412e+02 1.04 3.012059895e+02 4.721553593e+02 5.278896795e+02 1.06 2.720469529e+02 4.343231150e+02 4.904356404e+02 1.08 2.453925965e+02 3.981525478e+02 4.535633156e+02 1.10 2.210321791e+02 3.636028387e+02 4.173116538e+02 1.12 1.989030301e+02 3.309758060e+02 3.822609754e+02 1.14 1.788939989e+02 3.005068939e+02 3.489055785e+02 1.16 1.608653755e+02 2.723092702e+02 3.175602641e+02 1.18 1.446630326e+02 2.463994389e+02 2.883922725e+02 1.20 1.301283038e+02 2.227267804e+02 2.614614356e+02 1.22 1.171047171e+02 2.011958200e+02 2.367510986e+02 1.24 1.054423413e+02 1.816828399e+02 2.141917433e+02 1.26 9.500044439e+01 1.640481368e+02 1.936789048e+02 1.28 8.564896087e+01 1.481449138e+02 1.750866070e+02 1.30 7.726909245e+01 1.338256020e+02 1.582773059e+02 1.32 6.975332667e+01 1.209462372e+02 1.431091338e+02 1.34 6.300507089e+01 1.093693703e+02 1.294410588e+02 1.36 5.693804525e+01 9.896587908e+01 1.171364663e+02 1.38 5.147552954e+01 8.961598830e+01 1.060655077e+02 1.40 4.654950721e+01 8.120969793e+01 9.610654171e+01 1.42 4.209986826e+01 7.364679394e+01 8.714691185e+01 1.44 3.807363396e+01 6.683657339e+01 7.908323539e+01 1.46 3.442418407e+01 6.069738371e+01 7.182134297e+01 1.48 3.111053337e+01 5.515604648e+01 6.527596869e+01 1.50 2.809668337e+01 5.014721884e+01 5.937026659e+01 1.52 2.535103231e+01 4.561273238e+01 5.403525672e+01 1.54 2.284582816e+01 4.150093415e+01 4.920923492e+01 1.56 2.055669026e+01 3.776604946e+01 4.483714234e+01 1.58 1.846218885e+01 3.436757768e+01 4.086997387e+01 1.60 1.654349394e+01 3.126973632e+01 3.726421345e+01 1.62 1.478407936e+01 2.844093880e+01 3.398127927e+01 1.64 1.316938260e+01 2.585331598e+01 3.098700436e+01 1.66 1.168655491e+01 2.348228880e+01 2.825115617e+01 1.68 1.032423824e+01 2.130618466e+01 2.574699828e+01 1.70 9.072368303e+00 1.930589405e+01 2.345089248e+01 1.72 7.921909223e+00 1.746456460e+01 2.134194035e+01 1.74 6.864641594e+00 1.576733021e+01 1.940166285e+01 1.76 5.893082393e+00 1.420107107e+01 1.761371428e+01 1.78 5.000422463e+00 1.275420253e+01 1.596363278e+01 1.80 4.180469470e+00 1.141649488e+01 1.443864086e+01 1.82 3.427595567e+00 1.017884544e+01 1.302742295e+01 1.84 2.736683059e+00 9.033092917e+00 1.171994220e+01 1.86 2.103058079e+00 7.971904803e+00 1.050728724e+01 1.88 1.522441179e+00 6.988678522e+00 9.381532700e+00 1.90 9.909097164e-01 6.077461161e+00 8.335623328e+00 1.92 5.048641653e-01 5.232879047e+00 7.363272667e+00 1.94 6.099788762e-02 4.450075740e+00 6.458874326e+00 1.96 -3.437299714e-01 3.724657484e+00 5.617424355e+00 1.98 -7.121188313e-01 3.052645002e+00 4.834453055e+00 2.00 -1.046748533e+00 2.430430950e+00 4.105965174e+00 2.02 -1.349998965e+00 1.854742264e+00 3.428387340e+00 2.04 -1.624067732e+00 1.322606389e+00 2.798521198e+00 2.06 -1.870986057e+00 8.313157323e-01 2.213493763e+00 2.08 -2.092634941e+00 3.783878117e-01 1.670701192e+00 2.10 -2.290772221e+00 -3.849542767e-02 1.167721182e+00 2.12 -2.467068707e+00 -4.215272941e-01 7.022567428e-01 2.14 -2.623109317e+00 -7.727840909e-01 2.721277505e-01 2.16 -2.760378180e+00 -1.094230681e+00 -1.247343227e-01 2.18 -2.880263986e+00 -1.387732733e+00 -4.902914810e-01 2.20 -2.984065856e+00 -1.655069008e+00 -8.264040986e-01 2.22 -3.072998870e+00 -1.897919404e+00 -1.134835628e+00 2.24 -3.148201355e+00 -2.117872020e+00 -1.417257124e+00 2.26 -3.210763013e+00 -2.316433314e+00 -1.675251592e+00 2.28 -3.261714981e+00 -2.495022336e+00 -1.910318169e+00 2.30 -3.302014571e+00 -2.654974041e+00 -2.123876122e+00 2.32 -3.332550201e+00 -2.797544127e+00 -2.317268689e+00 2.34 -3.354146324e+00 -2.923913590e+00 -2.491766765e+00 2.36 -3.367567986e+00 -3.035193021e+00 -2.648572415e+00 2.38 -3.373525050e+00 -3.132426647e+00 -2.788822254e+00 2.40 -3.372676109e+00 -3.216596140e+00 -2.913590665e+00 2.42 -3.365632114e+00 -3.288624210e+00 -3.023892888e+00 2.44 -3.352959728e+00 -3.349377983e+00 -3.120687962e+00 2.46 -3.335184442e+00 -3.399672192e+00 -3.204881543e+00 2.48 -3.312792974e+00 -3.440272180e+00 -3.277328585e+00 2.50 -3.286236455e+00 -3.471897212e+00 -3.338836629e+00 2.52 -3.255936012e+00 -3.495233239e+00 -3.390183387e+00 2.54 -3.222277726e+00 -3.510932929e+00 -3.432115342e+00 2.56 -3.185620648e+00 -3.519606438e+00 -3.465332578e+00 2.58 -3.146298130e+00 -3.521826211e+00 -3.490494728e+00 2.60 -3.104622026e+00 -3.518135836e+00 -3.508233119e+00 2.62 -3.060881098e+00 -3.509043602e+00 -3.519140040e+00 2.64 -3.015341753e+00 -3.495022453e+00 -3.523767692e+00 2.66 -2.968249632e+00 -3.476512376e+00 -3.522630842e+00 2.68 -2.919831095e+00 -3.453922612e+00 -3.516209308e+00 2.70 -2.870294581e+00 -3.427633725e+00 -3.504950263e+00 2.72 -2.819831894e+00 -3.397999527e+00 -3.489270394e+00 2.74 -2.768619373e+00 -3.365348865e+00 -3.469557907e+00 2.76 -2.716819001e+00 -3.329987297e+00 -3.446174403e+00 2.78 -2.664579420e+00 -3.292198644e+00 -3.419456629e+00 2.80 -2.612036886e+00 -3.252246444e+00 -3.389718106e+00 2.82 -2.559316142e+00 -3.210375302e+00 -3.357250657e+00 2.84 -2.506505160e+00 -3.166812155e+00 -3.322325825e+00 2.86 -2.452278201e+00 -3.121767448e+00 -3.285196204e+00 2.88 -2.393536604e+00 -3.075436230e+00 -3.246096675e+00 2.90 -2.340200036e+00 -3.027999183e+00 -3.205245570e+00 2.92 -2.288529991e+00 -2.979623573e+00 -3.162845747e+00 2.94 -2.237211909e+00 -2.930464146e+00 -3.119085606e+00 2.96 -2.186310735e+00 -2.880663962e+00 -3.074140028e+00 2.98 -2.135885053e+00 -2.830355169e+00 -3.028171264e+00 3.00 -2.085987551e+00 -2.779659736e+00 -2.981329753e+00 3.02 -2.036665444e+00 -2.728566363e+00 -2.933754897e+00 3.04 -1.987960878e+00 -2.675699355e+00 -2.885575782e+00 3.06 -1.939911301e+00 -2.620766726e+00 -2.836911849e+00 3.08 -1.892549813e+00 -2.569751117e+00 -2.787873526e+00 3.10 -1.845905481e+00 -2.518893280e+00 -2.738562819e+00 3.12 -1.800003650e+00 -2.468191063e+00 -2.689073860e+00 3.14 -1.754866216e+00 -2.417712248e+00 -2.639493428e+00 3.16 -1.710511890e+00 -2.367518759e+00 -2.589901425e+00 3.18 -1.666956444e+00 -2.317667060e+00 -2.540371333e+00 3.20 -1.624212933e+00 -2.268208526e+00 -2.490970635e+00 3.22 -1.582291907e+00 -2.219189783e+00 -2.441761209e+00 3.24 -1.541201613e+00 -2.170653038e+00 -2.392799702e+00 3.26 -1.500948173e+00 -2.122636378e+00 -2.344137874e+00 3.28 -1.461535754e+00 -2.075174053e+00 -2.295822922e+00 3.30 -1.422966733e+00 -2.028296739e+00 -2.247897787e+00 3.32 -1.385241839e+00 -1.982031790e+00 -2.200401435e+00 3.34 -1.348360291e+00 -1.936403469e+00 -2.153369128e+00 3.36 -1.312319932e+00 -1.891433160e+00 -2.106832670e+00 3.38 -1.277117341e+00 -1.847139577e+00 -2.060820640e+00 3.40 -1.242747946e+00 -1.803538952e+00 -2.015358617e+00 3.42 -1.209206131e+00 -1.760645210e+00 -1.970469378e+00 3.44 -1.176485325e+00 -1.718470140e+00 -1.926173094e+00 3.46 -1.144578094e+00 -1.677023547e+00 -1.882487513e+00 3.48 -1.113476224e+00 -1.636313399e+00 -1.839342608e+00 3.50 -1.083170795e+00 -1.596345963e+00 -1.794714765e+00 3.52 -1.053652253e+00 -1.557125933e+00 -1.744060559e+00 3.54 -1.024910474e+00 -1.518656551e+00 -1.696407487e+00 3.56 -9.969348247e-01 -1.480939711e+00 -1.656735720e+00 3.58 -9.697142189e-01 -1.443976074e+00 -1.617709880e+00 3.60 -9.432371662e-01 -1.407765156e+00 -1.579335771e+00 3.62 -9.174918204e-01 -1.372305426e+00 -1.541617846e+00 3.64 -8.924660218e-01 -1.337594386e+00 -1.504559303e+00 3.66 -8.681473367e-01 -1.303628652e+00 -1.468162187e+00 3.68 -8.445230923e-01 -1.270404031e+00 -1.432427466e+00 3.70 -8.215804097e-01 -1.237915586e+00 -1.397355122e+00 3.72 -7.993062325e-01 -1.206157701e+00 -1.362944221e+00 3.74 -7.776873531e-01 -1.175124146e+00 -1.329192988e+00 3.76 -7.567104359e-01 -1.144808125e+00 -1.296098873e+00 3.78 -7.363620378e-01 -1.115202335e+00 -1.263658616e+00 3.80 -7.166286265e-01 -1.086299011e+00 -1.231868301e+00 3.82 -6.974965957e-01 -1.058089969e+00 -1.200723417e+00 3.84 -6.789522786e-01 -1.030566653e+00 -1.170218906e+00 3.86 -6.609819590e-01 -1.003720170e+00 -1.140349214e+00 3.88 -6.435718801e-01 -9.775413228e-01 -1.111108334e+00 3.90 -6.267082521e-01 -9.520206492e-01 -1.082489848e+00 3.92 -6.103772571e-01 -9.271484466e-01 -1.054486971e+00 3.94 -5.945650527e-01 -9.029148018e-01 -1.027092582e+00 3.96 -5.792577747e-01 -8.793096153e-01 -1.000299265e+00 3.98 -5.644415375e-01 -8.563226246e-01 -9.740993350e-01 4.00 -5.501024337e-01 -8.339434242e-01 -9.484848749e-01 4.02 -5.362767751e-01 -8.121614839e-01 -9.234477583e-01 4.04 -5.240644083e-01 -7.909661658e-01 -8.989796788e-01 4.06 -5.180384438e-01 -7.703467377e-01 -8.750721740e-01 4.08 -4.889241144e-01 -7.502923862e-01 -8.517166483e-01 4.10 -4.743922672e-01 -7.307922268e-01 -8.289043947e-01 4.12 -4.616160463e-01 -7.118353133e-01 -8.066266141e-01 4.14 -4.491199440e-01 -6.934106439e-01 -7.848744347e-01 4.16 -4.369025654e-01 -6.755071675e-01 -7.636389283e-01 4.18 -4.249623897e-01 -6.581137870e-01 -7.429111273e-01 4.20 -4.132977223e-01 -6.412193616e-01 -7.226820388e-01 4.22 -4.019066558e-01 -6.248127076e-01 -7.029426589e-01 4.24 -3.907870405e-01 -6.088825975e-01 -6.836839851e-01 4.26 -3.799364634e-01 -5.932737120e-01 -6.648970284e-01 4.28 -3.693522358e-01 -5.751728209e-01 -6.465728243e-01 4.30 -3.590313891e-01 -5.475961732e-01 -6.287024424e-01 4.32 -3.489706774e-01 -5.102663617e-01 -6.112769963e-01 4.34 -3.391665867e-01 -4.916039635e-01 -5.942876517e-01 4.36 -3.296153499e-01 -4.804950342e-01 -5.777256345e-01 4.38 -3.203129651e-01 -4.696323211e-01 -5.615822380e-01 4.40 -3.109578429e-01 -4.590028004e-01 -5.458488291e-01 4.42 -2.962935898e-01 -4.485938037e-01 -5.305168548e-01 4.44 -2.600132386e-01 -4.383931237e-01 -5.155778473e-01 4.46 -1.429319479e-01 -4.283891228e-01 -5.010234291e-01 4.48 -1.043078710e-01 -4.185708422e-01 -4.868453176e-01 4.50 -1.012738386e-01 -4.089281065e-01 -4.730353285e-01 4.52 -9.832647143e-02 -3.994516220e-01 -4.595853803e-01 4.54 -9.546334921e-02 -3.901330617e-01 -4.464874967e-01 4.56 -9.268211679e-02 -3.809651361e-01 -4.337338099e-01 4.58 -8.998048245e-02 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