# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-Mo # implementation = 2020--Chen-Y--W-Mo--LAMMPS--ipr1 # composition = MoW3 # 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 2022-12-14 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 3.850454371e+03 nan nan 0.88 3.446612770e+03 nan nan 0.90 3.081880854e+03 nan nan 0.92 2.737119442e+03 nan nan 0.94 2.436156601e+03 nan nan 0.96 2.173108368e+03 3.432556017e+03 3.974074196e+03 0.98 1.942883768e+03 3.115758332e+03 3.632872304e+03 1.00 1.740738922e+03 2.832749082e+03 3.326132344e+03 1.02 1.550937232e+03 2.526699930e+03 2.970199931e+03 1.04 1.384166749e+03 2.257549840e+03 2.656171325e+03 1.06 1.237366034e+03 2.021544976e+03 2.378841630e+03 1.08 1.108275551e+03 1.813370718e+03 2.133550903e+03 1.10 9.943962788e+02 1.629174116e+03 1.916248863e+03 1.12 8.937149976e+02 1.465982718e+03 1.723428926e+03 1.14 8.046580091e+02 1.321245213e+03 1.552124013e+03 1.16 7.257317647e+02 1.192709898e+03 1.400222791e+03 1.18 6.556661466e+02 1.078358192e+03 1.265936040e+03 1.20 5.932195487e+02 9.764226478e+02 1.146248192e+03 1.22 5.373452095e+02 8.853708943e+02 1.039337445e+03 1.24 4.871847901e+02 8.042891163e+02 9.436931417e+02 1.26 4.420297820e+02 7.316028399e+02 8.580066352e+02 1.28 4.012681476e+02 6.661960975e+02 7.811399923e+02 1.30 3.643869534e+02 6.072621215e+02 7.121158233e+02 1.32 3.309780973e+02 5.540767218e+02 6.500792198e+02 1.34 3.006583153e+02 5.060266408e+02 5.941953988e+02 1.36 2.730906533e+02 4.626133164e+02 5.436855334e+02 1.38 2.480218409e+02 4.233746922e+02 4.978743500e+02 1.40 2.252455859e+02 3.877862016e+02 4.561994905e+02 1.42 2.045547075e+02 3.553514403e+02 4.182730720e+02 1.44 1.857305881e+02 3.256641864e+02 3.837746303e+02 1.46 1.685695423e+02 2.984003829e+02 3.521818110e+02 1.48 1.528887493e+02 2.732807629e+02 3.232632733e+02 1.50 1.385306999e+02 2.501040660e+02 2.968439094e+02 1.52 1.253603912e+02 2.287212792e+02 2.727485161e+02 1.54 1.132639296e+02 2.090026163e+02 2.507204940e+02 1.56 1.021385341e+02 1.908382510e+02 2.305078156e+02 1.58 9.189387830e+01 1.741371052e+02 2.118935811e+02 1.60 8.245549849e+01 1.588226502e+02 1.947173780e+02 1.62 7.375867324e+01 1.448011380e+02 1.788318206e+02 1.64 6.586164619e+01 1.319490074e+02 1.641033620e+02 1.66 5.876554843e+01 1.201468318e+02 1.504273435e+02 1.68 5.226377570e+01 1.092943617e+02 1.377117141e+02 1.70 4.632730691e+01 9.930866852e+01 1.258734928e+02 1.72 4.092816353e+01 9.010624773e+01 1.148421408e+02 1.74 3.603203394e+01 8.169194292e+01 1.045668133e+02 1.76 3.160278515e+01 7.401775857e+01 9.500339627e+01 1.78 2.760495926e+01 6.691634857e+01 8.611248165e+01 1.80 2.409612368e+01 6.036377966e+01 7.785970189e+01 1.82 2.099246160e+01 5.432269372e+01 7.021939296e+01 1.84 1.818256088e+01 4.876047321e+01 6.320000522e+01 1.86 1.564036503e+01 4.364963807e+01 5.678319872e+01 1.88 1.334032626e+01 3.895666911e+01 5.092331832e+01 1.90 1.125749462e+01 3.465052769e+01 4.557599822e+01 1.92 9.368056123e+00 3.070461233e+01 4.069482190e+01 1.94 7.649579106e+00 2.709457373e+01 3.623637357e+01 1.96 6.081682508e+00 2.379784748e+01 3.216413645e+01 1.98 4.646637968e+00 2.079272290e+01 2.844404797e+01 2.00 3.332398390e+00 1.805675899e+01 2.504962940e+01 2.02 2.172340896e+00 1.577745285e+01 2.227264577e+01 2.04 1.104398365e+00 1.368011055e+01 1.971146117e+01 2.06 1.211284604e-01 1.174800302e+01 1.735093389e+01 2.08 -7.800337480e-01 9.965836430e+00 1.517756652e+01 2.10 -1.599649673e+00 8.319906101e+00 1.317876645e+01 2.12 -2.337523337e+00 6.800998333e+00 1.134367327e+01 2.14 -2.994698157e+00 5.400849569e+00 9.660850629e+00 2.16 -3.581806054e+00 4.111275803e+00 8.118963409e+00 2.18 -4.111735732e+00 2.924764027e+00 6.707312947e+00 2.20 -4.596157011e+00 1.838209934e+00 5.415500210e+00 2.22 -5.045408073e+00 8.495923390e-01 4.233744166e+00 2.24 -5.464934755e+00 -4.338049797e-02 3.153005201e+00 2.26 -5.855217446e+00 -8.427436984e-01 2.164597814e+00 2.28 -6.213756829e+00 -1.556017429e+00 1.260007917e+00 2.30 -6.538042250e+00 -2.195826585e+00 4.301377698e-01 2.32 -6.824548500e+00 -2.774479914e+00 -3.339708844e-01 2.34 -7.070420465e+00 -3.303722770e+00 -1.040515711e+00 2.36 -7.279062522e+00 -3.793434370e+00 -1.696986563e+00 2.38 -7.455754350e+00 -4.250379915e+00 -2.310296758e+00 2.40 -7.605677745e+00 -4.680541116e+00 -2.886837488e+00 2.42 -7.733782348e+00 -5.089028486e+00 -3.431719292e+00 2.44 -7.843598019e+00 -5.479016621e+00 -3.947114685e+00 2.46 -7.937499144e+00 -5.851876274e+00 -4.435348702e+00 2.48 -8.017542297e+00 -6.208193964e+00 -4.898967062e+00 2.50 -8.085485026e+00 -6.548271517e+00 -5.340255213e+00 2.52 -8.142592682e+00 -6.870963105e+00 -5.759376544e+00 2.54 -8.187874468e+00 -7.171485676e+00 -6.150971362e+00 2.56 -8.219599981e+00 -7.444265456e+00 -6.508442177e+00 2.58 -8.235968110e+00 -7.683621179e+00 -6.824845291e+00 2.60 -8.235095033e+00 -7.884099875e+00 -7.092996366e+00 2.62 -8.215408030e+00 -8.042995701e+00 -7.309267799e+00 2.64 -8.177258926e+00 -8.164306977e+00 -7.480024630e+00 2.66 -8.122036802e+00 -8.253263513e+00 -7.613402171e+00 2.68 -8.051119552e+00 -8.314971831e+00 -7.717314852e+00 2.70 -7.965875737e+00 -8.354413471e+00 -7.799437248e+00 2.72 -7.867994007e+00 -8.375709913e+00 -7.866068233e+00 2.74 -7.758890500e+00 -8.380873756e+00 -7.920213798e+00 2.76 -7.639856474e+00 -8.371483856e+00 -7.964210672e+00 2.78 -7.512157913e+00 -8.349156999e+00 -8.000363324e+00 2.80 -7.376926031e+00 -8.315927874e+00 -8.030937527e+00 2.82 -7.234964331e+00 -8.273769525e+00 -8.057581395e+00 2.84 -7.086887617e+00 -8.223541950e+00 -8.080253447e+00 2.86 -6.933274973e+00 -8.165846369e+00 -8.098558268e+00 2.88 -6.774865703e+00 -8.101269911e+00 -8.112070999e+00 2.90 -6.612718913e+00 -8.030393783e+00 -8.120336559e+00 2.92 -6.447944684e+00 -7.953785879e+00 -8.122874179e+00 2.94 -6.281666075e+00 -7.871998536e+00 -8.119206963e+00 2.96 -6.114958653e+00 -7.785506437e+00 -8.108838274e+00 2.98 -5.948692191e+00 -7.694464304e+00 -8.091248910e+00 3.00 -5.783684660e+00 -7.598896227e+00 -8.066009440e+00 3.02 -5.620759740e+00 -7.498842666e+00 -8.032824486e+00 3.04 -5.460691224e+00 -7.394482415e+00 -7.991575894e+00 3.06 -5.303956004e+00 -7.286014211e+00 -7.942162005e+00 3.08 -5.150699896e+00 -7.173625576e+00 -7.884448887e+00 3.10 -5.001015979e+00 -7.057489921e+00 -7.818251775e+00 3.12 -4.854983337e+00 -6.937776433e+00 -7.743370914e+00 3.14 -4.712618931e+00 -6.814618404e+00 -7.659639407e+00 3.16 -4.573914335e+00 -6.688027232e+00 -7.566900205e+00 3.18 -4.438857263e+00 -6.557999209e+00 -7.464992633e+00 3.20 -4.307431184e+00 -6.424536828e+00 -7.353762085e+00 3.22 -4.179641991e+00 -6.287803620e+00 -7.233348550e+00 3.24 -4.055540469e+00 -6.148309612e+00 -7.104554124e+00 3.26 -3.935093515e+00 -6.006611743e+00 -6.968306992e+00 3.28 -3.818246708e+00 -5.863256837e+00 -6.825528392e+00 3.30 -3.704910830e+00 -5.718783090e+00 -6.677130353e+00 3.32 -3.594966664e+00 -5.573699531e+00 -6.524031427e+00 3.34 -3.488253527e+00 -5.428504002e+00 -6.367171373e+00 3.36 -3.384593356e+00 -5.283697931e+00 -6.207497047e+00 3.38 -3.283836466e+00 -5.139783743e+00 -6.045957824e+00 3.40 -3.185855261e+00 -4.997263588e+00 -5.883503825e+00 3.42 -3.090488321e+00 -4.856538580e+00 -5.720934773e+00 3.44 -2.997502134e+00 -4.717752735e+00 -5.558665981e+00 3.46 -2.906749381e+00 -4.581002002e+00 -5.397042253e+00 3.48 -2.818173836e+00 -4.446380558e+00 -5.236413370e+00 3.50 -2.731719365e+00 -4.313974305e+00 -5.077140476e+00 3.52 -2.647325994e+00 -4.183869161e+00 -4.919594014e+00 3.54 -2.564929342e+00 -4.056154709e+00 -4.764151345e+00 3.56 -2.484459971e+00 -3.930926043e+00 -4.611197123e+00 3.58 -2.405842103e+00 -3.808302917e+00 -4.461123753e+00 3.60 -2.328994376e+00 -3.688428703e+00 -4.314331800e+00 3.62 -2.253845189e+00 -3.571406175e+00 -4.171157629e+00 3.64 -2.180300937e+00 -3.457228976e+00 -4.031769050e+00 3.66 -2.108258766e+00 -3.345924842e+00 -3.896312471e+00 3.68 -2.037616535e+00 -3.237611536e+00 -3.764948924e+00 3.70 -1.968327402e+00 -3.132429547e+00 -3.637854863e+00 3.72 -1.900411730e+00 -3.030491752e+00 -3.515167009e+00 3.74 -1.833840512e+00 -2.931794329e+00 -3.396866345e+00 3.76 -1.768573546e+00 -2.836303919e+00 -3.282896089e+00 3.78 -1.704615818e+00 -2.743983902e+00 -3.173198639e+00 3.80 -1.642001035e+00 -2.654793578e+00 -3.067715514e+00 3.82 -1.580760624e+00 -2.568673338e+00 -2.966364370e+00 3.84 -1.520917161e+00 -2.485526397e+00 -2.869009554e+00 3.86 -1.462490266e+00 -2.405245214e+00 -2.775503276e+00 3.88 -1.405498351e+00 -2.327715804e+00 -2.685695100e+00 3.90 -1.349957959e+00 -2.252817035e+00 -2.599431541e+00 3.92 -1.295882944e+00 -2.180434988e+00 -2.516555595e+00 3.94 -1.243282937e+00 -2.110482152e+00 -2.436906213e+00 3.96 -1.192164337e+00 -2.042871080e+00 -2.360317713e+00 3.98 -1.142528070e+00 -1.977508904e+00 -2.286619093e+00 4.00 -1.094353774e+00 -1.914294854e+00 -2.215632992e+00 4.02 -1.047633241e+00 -1.853113551e+00 -2.147170195e+00 4.04 -1.002088400e+00 -1.793841967e+00 -2.081032205e+00 4.06 -9.586828630e-01 -1.736351792e+00 -2.017015704e+00 4.08 -9.182105077e-01 -1.680507896e+00 -1.954911933e+00 4.10 -8.785922194e-01 -1.626167522e+00 -1.894506047e+00 4.12 -8.379471244e-01 -1.573191120e+00 -1.835592697e+00 4.14 -7.960357175e-01 -1.521471315e+00 -1.778013481e+00 4.16 -7.543021561e-01 -1.470904760e+00 -1.721620761e+00 4.18 -7.147802434e-01 -1.421382516e+00 -1.666266323e+00 4.20 -6.784077500e-01 -1.372790273e+00 -1.611802743e+00 4.22 -6.453844988e-01 -1.325039105e+00 -1.558130738e+00 4.24 -6.156657266e-01 -1.278102248e+00 -1.505256043e+00 4.26 -5.890031383e-01 -1.231962276e+00 -1.453202906e+00 4.28 -5.644163922e-01 -1.186630778e+00 -1.401993400e+00 4.30 -5.418408070e-01 -1.142131504e+00 -1.351646749e+00 4.32 -5.214753897e-01 -1.098486841e+00 -1.302178610e+00 4.34 -5.032740779e-01 -1.055710986e+00 -1.253600284e+00 4.36 -4.870716725e-01 -1.013817202e+00 -1.205917730e+00 4.38 -4.729566576e-01 -9.728135681e-01 -1.159130050e+00 4.40 -4.602777264e-01 -9.326889340e-01 -1.113229399e+00 4.42 -4.477857923e-01 -8.934467521e-01 -1.068200247e+00 4.44 -4.346965160e-01 -8.549920410e-01 -1.024014774e+00 4.46 -4.205132850e-01 -8.171860338e-01 -9.806429115e-01 4.48 -4.049411863e-01 -7.805244909e-01 -9.380182461e-01 4.50 -3.878199150e-01 -7.454410586e-01 -8.959941418e-01 4.52 -3.690895205e-01 -7.115843973e-01 -8.544250107e-01 4.54 -3.488181501e-01 -6.769108572e-01 -8.141482359e-01 4.56 -3.270215317e-01 -6.413517613e-01 -7.757713665e-01 4.58 -3.042470028e-01 -6.056472439e-01 -7.377803187e-01 4.60 -2.811473644e-01 -5.708664261e-01 -6.986425108e-01 4.62 -2.582277658e-01 -5.380939823e-01 -6.581383801e-01 4.64 -2.358698026e-01 -5.059207711e-01 -6.163101924e-01 4.66 -2.143540616e-01 -4.737204729e-01 -5.747271635e-01 4.68 -1.938789587e-01 -4.413492362e-01 -5.361119484e-01 4.70 -1.745765215e-01 -4.091204075e-01 -5.019886736e-01 4.72 -1.565257460e-01 -3.769321151e-01 -4.734186580e-01 4.74 -1.397637746e-01 -3.446389213e-01 -4.471645040e-01 4.76 -1.242937847e-01 -3.128996459e-01 -4.203517229e-01 4.78 -1.100913037e-01 -2.821522686e-01 -3.916297366e-01 4.80 -9.711296849e-02 -2.526600992e-01 -3.606365926e-01 4.82 -8.530192735e-02 -2.245219013e-01 -3.274795402e-01 4.84 -7.459158344e-02 -1.979283656e-01 -2.930114875e-01 4.86 -6.490905591e-02 -1.732576549e-01 -2.590752329e-01 4.88 -5.617770929e-02 -1.506298357e-01 -2.267500852e-01 4.90 -4.831897695e-02 -1.299652305e-01 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-1.225459282e-04 -1.838263876e-04 5.28 -5.837981485e-06 -1.539550924e-05 -2.309338106e-05 5.30 -5.426322651e-11 -1.540894319e-10 -2.810834216e-10 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 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