# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Co2WZr # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.598761679e+02 2.598761679e+02 1.30 2.394939076e+02 2.394939076e+02 1.32 2.206989345e+02 2.206989345e+02 1.34 2.033595484e+02 2.033595484e+02 1.36 1.873545891e+02 1.873545891e+02 1.38 1.725729330e+02 1.725729330e+02 1.40 1.589133407e+02 1.589133407e+02 1.42 1.462839232e+02 1.462839232e+02 1.44 1.346011836e+02 1.346011836e+02 1.46 1.237892881e+02 1.237892881e+02 1.48 1.137798508e+02 1.137798508e+02 1.50 1.045115757e+02 1.045115757e+02 1.52 9.592930459e+01 9.592930459e+01 1.54 8.798281625e+01 8.798281625e+01 1.56 8.062607471e+01 8.062607471e+01 1.58 7.381690414e+01 7.381690414e+01 1.60 6.751659814e+01 6.751659814e+01 1.62 6.168924565e+01 6.168924565e+01 1.64 5.630103731e+01 5.630103731e+01 1.66 5.131985501e+01 5.131985501e+01 1.68 4.671525896e+01 4.671525896e+01 1.70 4.245875798e+01 4.245875798e+01 1.72 3.852392772e+01 3.852392772e+01 1.74 3.488627769e+01 3.488627769e+01 1.76 3.152298399e+01 3.152298399e+01 1.78 2.841273348e+01 2.841273348e+01 1.80 2.553570409e+01 2.553570409e+01 1.82 2.287363045e+01 2.287363045e+01 1.84 2.040993929e+01 2.040993929e+01 1.86 1.813061162e+01 1.813061162e+01 1.88 1.602239020e+01 1.602239020e+01 1.90 1.407327643e+01 1.407327643e+01 1.92 1.227341213e+01 1.227341213e+01 1.94 1.061370139e+01 1.061370139e+01 1.96 9.084864348e+00 9.084864348e+00 1.98 7.678097516e+00 7.678097516e+00 2.00 6.385003397e+00 6.385003397e+00 2.02 5.197570029e+00 5.197570029e+00 2.04 4.108152815e+00 4.108152815e+00 2.06 3.109434254e+00 3.109434254e+00 2.08 2.194371161e+00 2.194371161e+00 2.10 1.356180768e+00 1.356180768e+00 2.12 5.883756144e-01 5.883756144e-01 2.14 -1.151531415e-01 -1.151531415e-01 2.16 -7.600252661e-01 -7.600252661e-01 2.18 -1.351290606e+00 -1.351290606e+00 2.20 -1.893394686e+00 -1.893394686e+00 2.22 -2.390216199e+00 -2.390216199e+00 2.24 -2.845138761e+00 -2.845138761e+00 2.26 -3.261133147e+00 -3.261133147e+00 2.28 -3.640845374e+00 -3.640845374e+00 2.30 -3.986640571e+00 -3.986640571e+00 2.32 -4.300681637e+00 -4.300681637e+00 2.34 -4.584956223e+00 -4.584956223e+00 2.36 -4.841330358e+00 -4.841330358e+00 2.38 -5.071577494e+00 -5.071577494e+00 2.40 -5.277402496e+00 -5.277402496e+00 2.42 -5.460461644e+00 -5.460461644e+00 2.44 -5.622366755e+00 -5.622366755e+00 2.46 -5.764679363e+00 -5.764679363e+00 2.48 -5.888829367e+00 -5.888829367e+00 2.50 -5.996299599e+00 -5.996299599e+00 2.52 -6.088502337e+00 -6.088502337e+00 2.54 -6.166720934e+00 -6.166720934e+00 2.56 -6.232109785e+00 -6.232109785e+00 2.58 -6.285741455e+00 -6.285741455e+00 2.60 -6.328564332e+00 -6.328564332e+00 2.62 -6.361296160e+00 -6.361296160e+00 2.64 -6.384451749e+00 -6.384451749e+00 2.66 -6.398325329e+00 -6.398325329e+00 2.68 -6.403208422e+00 -6.403208422e+00 2.70 -6.399407064e+00 -6.399407064e+00 2.72 -6.387214487e+00 -6.387214487e+00 2.74 -6.366751741e+00 -6.366751741e+00 2.76 -6.338137313e+00 -6.338137313e+00 2.78 -6.301561664e+00 -6.301561664e+00 2.80 -6.257277807e+00 -6.257277807e+00 2.82 -6.205574976e+00 -6.205574976e+00 2.84 -6.146780348e+00 -6.146780348e+00 2.86 -6.081312023e+00 -6.081312023e+00 2.88 -6.009503414e+00 -6.009503414e+00 2.90 -5.931686075e+00 -5.931686075e+00 2.92 -5.848238456e+00 -5.848238456e+00 2.94 -5.759590238e+00 -5.759590238e+00 2.96 -5.666225222e+00 -5.666225222e+00 2.98 -5.568680375e+00 -5.568680375e+00 3.00 -5.467539130e+00 -5.467539130e+00 3.02 -5.363415046e+00 -5.363415046e+00 3.04 -5.256866648e+00 -5.256866648e+00 3.06 -5.148397303e+00 -5.148397303e+00 3.08 -5.038481653e+00 -5.038481653e+00 3.10 -4.927561014e+00 -4.927561014e+00 3.12 -4.816019240e+00 -4.816019240e+00 3.14 -4.704180903e+00 -4.704180903e+00 3.16 -4.592296757e+00 -4.592296757e+00 3.18 -4.480557155e+00 -4.480557155e+00 3.20 -4.369098401e+00 -4.369098401e+00 3.22 -4.258014414e+00 -4.258014414e+00 3.24 -4.147370143e+00 -4.147370143e+00 3.26 -4.037215728e+00 -4.037215728e+00 3.28 -3.927600146e+00 -3.927600146e+00 3.30 -3.818582853e+00 -3.818582853e+00 3.32 -3.710242140e+00 -3.710242140e+00 3.34 -3.602679618e+00 -3.602679618e+00 3.36 -3.496021216e+00 -3.496021216e+00 3.38 -3.390415714e+00 -3.390415714e+00 3.40 -3.286030786e+00 -3.286030786e+00 3.42 -3.183054571e+00 -3.183054571e+00 3.44 -3.081683755e+00 -3.081683755e+00 3.46 -2.982124301e+00 -2.982124301e+00 3.48 -2.884583722e+00 -2.884583722e+00 3.50 -2.789263566e+00 -2.789263566e+00 3.52 -2.696351053e+00 -2.696351053e+00 3.54 -2.606010678e+00 -2.606010678e+00 3.56 -2.518376745e+00 -2.518376745e+00 3.58 -2.433547704e+00 -2.433547704e+00 3.60 -2.351582877e+00 -2.351582877e+00 3.62 -2.272501824e+00 -2.272501824e+00 3.64 -2.196286247e+00 -2.196286247e+00 3.66 -2.122884068e+00 -2.122884068e+00 3.68 -2.052215143e+00 -2.052215143e+00 3.70 -1.984178029e+00 -1.984178029e+00 3.72 -1.918657195e+00 -1.918657195e+00 3.74 -1.855530184e+00 -1.855530184e+00 3.76 -1.794674236e+00 -1.794674236e+00 3.78 -1.735972016e+00 -1.735972016e+00 3.80 -1.679316091e+00 -1.679316091e+00 3.82 -1.624611901e+00 -1.624611901e+00 3.84 -1.571779010e+00 -1.571779010e+00 3.86 -1.520750591e+00 -1.520750591e+00 3.88 -1.471471275e+00 -1.471471275e+00 3.90 -1.423893758e+00 -1.423893758e+00 3.92 -1.377972777e+00 -1.377972777e+00 3.94 -1.333669527e+00 -1.333669527e+00 3.96 -1.290935227e+00 -1.290935227e+00 3.98 -1.249718491e+00 -1.249718491e+00 4.00 -1.209962207e+00 -1.209962207e+00 4.02 -1.171604140e+00 -1.171604140e+00 4.04 -1.134578396e+00 -1.134578396e+00 4.06 -1.098817355e+00 -1.098817355e+00 4.08 -1.064253687e+00 -1.064253687e+00 4.10 -1.030818343e+00 -1.030818343e+00 4.12 -9.984583000e-01 -9.984583000e-01 4.14 -9.671122078e-01 -9.671122078e-01 4.16 -9.367292726e-01 -9.367292726e-01 4.18 -9.072650360e-01 -9.072650360e-01 4.20 -8.786816593e-01 -8.786816593e-01 4.22 -8.509479136e-01 -8.509479136e-01 4.24 -8.240388500e-01 -8.240388500e-01 4.26 -7.979351238e-01 -7.979351238e-01 4.28 -7.726219698e-01 -7.726219698e-01 4.30 -7.480878741e-01 -7.480878741e-01 4.32 -7.243230469e-01 -7.243230469e-01 4.34 -7.013178544e-01 -7.013178544e-01 4.36 -6.790613903e-01 -6.790613903e-01 4.38 -6.575403533e-01 -6.575403533e-01 4.40 -6.367383439e-01 -6.367383439e-01 4.42 -6.166356130e-01 -6.166356130e-01 4.44 -5.972092219e-01 -5.972092219e-01 4.46 -5.784335123e-01 -5.784335123e-01 4.48 -5.602807594e-01 -5.602807594e-01 4.50 -5.427218878e-01 -5.427218878e-01 4.52 -5.257271496e-01 -5.257271496e-01 4.54 -5.092667063e-01 -5.092667063e-01 4.56 -4.933110832e-01 -4.933110832e-01 4.58 -4.778315000e-01 -4.778315000e-01 4.60 -4.628000932e-01 -4.628000932e-01 4.62 -4.481900620e-01 -4.481900620e-01 4.64 -4.339757682e-01 -4.339757682e-01 4.66 -4.201328221e-01 -4.201328221e-01 4.68 -4.066381829e-01 -4.066381829e-01 4.70 -3.934702949e-01 -3.934702949e-01 4.72 -3.806092772e-01 -3.806092772e-01 4.74 -3.680371744e-01 -3.680371744e-01 4.76 -3.557382687e-01 -3.557382687e-01 4.78 -3.436994435e-01 -3.436994435e-01 4.80 -3.319074226e-01 -3.319074226e-01 4.82 -3.203622830e-01 -3.203622830e-01 4.84 -3.090571780e-01 -3.090571780e-01 4.86 -2.979929386e-01 -2.979929386e-01 4.88 -2.871742857e-01 -2.871742857e-01 4.90 -2.766095946e-01 -2.766095946e-01 4.92 -2.663103750e-01 -2.663103750e-01 4.94 -2.562904596e-01 -2.562904596e-01 4.96 -2.465649365e-01 -2.465649365e-01 4.98 -2.371489038e-01 -2.371489038e-01 5.00 -2.280561626e-01 -2.280561626e-01 5.02 -2.192979851e-01 -2.192979851e-01 5.04 -2.108820875e-01 -2.108820875e-01 5.06 -2.028119131e-01 -2.028119131e-01 5.08 -1.950861558e-01 -1.950861558e-01 5.10 -1.876989581e-01 -1.876989581e-01 5.12 -1.806404712e-01 -1.806404712e-01 5.14 -1.738971701e-01 -1.738971701e-01 5.16 -1.674526512e-01 -1.674526512e-01 5.18 -1.612885048e-01 -1.612885048e-01 5.20 -1.553851802e-01 -1.553851802e-01 5.22 -1.497227852e-01 -1.497227852e-01 5.24 -1.442817845e-01 -1.442817845e-01 5.26 -1.390435836e-01 -1.390435836e-01 5.28 -1.339909952e-01 -1.339909952e-01 5.30 -1.291085963e-01 -1.291085963e-01 5.32 -1.243829853e-01 -1.243829853e-01 5.34 -1.198029491e-01 -1.198029491e-01 5.36 -1.153595454e-01 -1.153595454e-01 5.38 -1.110461027e-01 -1.110461027e-01 5.40 -1.068581376e-01 -1.068581376e-01 5.42 -1.027931882e-01 -1.027931882e-01 5.44 -9.885056483e-02 -9.885056483e-02 5.46 -9.503102335e-02 -9.503102335e-02 5.48 -9.133637559e-02 -9.133637559e-02 5.50 -8.776905640e-02 -8.776905640e-02 5.52 -8.433167687e-02 -8.433167687e-02 5.54 -8.102659460e-02 -8.102659460e-02 5.56 -7.785553303e-02 -7.785553303e-02 5.58 -7.481927698e-02 -7.481927698e-02 5.60 -7.191738423e-02 -7.191738423e-02 5.62 -6.914814769e-02 -6.914814769e-02 5.64 -6.650878621e-02 -6.650878621e-02 5.66 -6.399530062e-02 -6.399530062e-02 5.68 -6.160261954e-02 -6.160261954e-02 5.70 -5.932479402e-02 -5.932479402e-02 5.72 -5.715521189e-02 -5.715521189e-02 5.74 -5.508681209e-02 -5.508681209e-02 5.76 -5.311228383e-02 -5.311228383e-02 5.78 -5.122424036e-02 -5.122424036e-02 5.80 -4.941536240e-02 -4.941536240e-02 5.82 -4.767850998e-02 -4.767850998e-02 5.84 -4.600680453e-02 -4.600680453e-02 5.86 -4.439368509e-02 -4.439368509e-02 5.88 -4.283294328e-02 -4.283294328e-02 5.90 -4.131874245e-02 -4.131874245e-02 5.92 -3.984562584e-02 -3.984562584e-02 5.94 -3.840851850e-02 -3.840851850e-02 5.96 -3.700272690e-02 -3.700272690e-02 5.98 -3.562393960e-02 -3.562393960e-02 6.00 -3.426823160e-02 -3.426823160e-02