# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Oliveira-D-S-Kuritza-D-P-Zavarize-M-et-al--Ga-P # implementation = 2025--Oliveira-D-S--Ga-P--LAMMPS--ipr1 # composition = Ga3P # 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 -3.836869512e+08 nan nan 0.96 -2.529380267e+08 nan nan 0.98 -1.532041616e+08 nan nan 1.00 -8.186869127e+07 nan nan 1.02 -3.732151279e+07 nan nan 1.04 -1.338037933e+07 -2.936011695e+08 nan 1.06 -3.175623164e+06 -1.565442139e+08 -2.055735934e+08 1.08 -2.474943241e+05 -7.446638453e+07 -1.358387365e+08 1.10 2.659570328e+02 -3.040451774e+07 -8.097481214e+07 1.12 2.367106307e+02 -9.698089252e+06 -4.158316449e+07 1.14 2.108843584e+02 -1.938452635e+06 -1.754733274e+07 1.16 1.877158458e+02 -1.027465437e+05 -5.424868601e+06 1.18 1.670077311e+02 2.427659537e+02 -8.605537866e+05 1.20 1.485378206e+02 2.221274874e+02 -8.404464288e+03 1.22 1.320306211e+02 2.030085410e+02 4.752027289e+02 1.24 1.172139917e+02 1.853039824e+02 4.105845594e+02 1.26 1.039337261e+02 1.689426392e+02 3.546453277e+02 1.28 9.212145627e+01 1.538464971e+02 3.053859665e+02 1.30 8.170758496e+01 1.399343493e+02 2.619552224e+02 1.32 7.253057647e+01 1.271212431e+02 2.240153665e+02 1.34 6.444190762e+01 1.153258566e+02 1.911552469e+02 1.36 5.731314746e+01 1.044717584e+02 1.630296862e+02 1.38 5.101586746e+01 9.450805395e+01 1.392950394e+02 1.40 4.545366915e+01 8.539068601e+01 1.194752838e+02 1.42 4.052793697e+01 7.707225302e+01 1.030896152e+02 1.44 3.614179268e+01 6.948580586e+01 8.965377924e+01 1.46 3.220502199e+01 6.256751596e+01 7.869652036e+01 1.48 2.863710480e+01 5.626757348e+01 6.979368965e+01 1.50 2.538529751e+01 5.054022814e+01 6.254179312e+01 1.52 2.242214521e+01 4.533857975e+01 5.657202210e+01 1.54 1.972706984e+01 4.061199169e+01 5.158377281e+01 1.56 1.727838810e+01 3.630134173e+01 4.734673788e+01 1.58 1.505391757e+01 3.235343700e+01 4.365996529e+01 1.60 1.303574467e+01 2.874370349e+01 4.037362799e+01 1.62 1.120586942e+01 2.545913574e+01 3.737424173e+01 1.64 9.547100994e+00 2.248541706e+01 3.455078230e+01 1.66 8.044986040e+00 1.980675783e+01 3.180335266e+01 1.68 6.686135968e+00 1.740631195e+01 2.908023720e+01 1.70 5.458035402e+00 1.526363543e+01 2.638841945e+01 1.72 4.348536232e+00 1.335376151e+01 2.373459903e+01 1.74 3.352619889e+00 1.164777414e+01 2.113873042e+01 1.76 2.464028573e+00 1.011729736e+01 1.863215227e+01 1.78 1.670510812e+00 8.734847357e+00 1.624902835e+01 1.80 9.578634845e-01 7.472207587e+00 1.401684257e+01 1.82 3.214111812e-01 6.305196228e+00 1.194921732e+01 1.84 -2.421938525e-01 5.226559079e+00 1.004900666e+01 1.86 -7.397777766e-01 4.233870744e+00 8.322430217e+00 1.88 -1.178522068e+00 3.325144542e+00 6.771472300e+00 1.90 -1.564075472e+00 2.496547639e+00 5.391541309e+00 1.92 -1.899973841e+00 1.743453787e+00 4.175748947e+00 1.94 -2.188048583e+00 1.063437172e+00 3.115431635e+00 1.96 -2.431426111e+00 4.534070231e-01 2.197297804e+00 1.98 -2.635865714e+00 -9.112225531e-02 1.406384275e+00 2.00 -2.807352580e+00 -5.741949045e-01 7.295784547e-01 2.02 -2.950727870e+00 -9.978076353e-01 1.540607807e-01 2.04 -3.069634314e+00 -1.365780994e+00 -3.383592329e-01 2.06 -3.166103305e+00 -1.683707059e+00 -7.648219731e-01 2.08 -3.241954062e+00 -1.957684011e+00 -1.136688618e+00 2.10 -3.298974230e+00 -2.194534108e+00 -1.461091864e+00 2.12 -3.339166075e+00 -2.400318322e+00 -1.742953198e+00 2.14 -3.364201966e+00 -2.578988451e+00 -1.985687244e+00 2.16 -3.375212773e+00 -2.733986178e+00 -2.192393918e+00 2.18 -3.374618570e+00 -2.868416702e+00 -2.367012667e+00 2.20 -3.366237143e+00 -2.985323077e+00 -2.513894203e+00 2.22 -3.353016544e+00 -3.087169079e+00 -2.638243367e+00 2.24 -3.336754268e+00 -3.174020706e+00 -2.744599093e+00 2.26 -3.317188824e+00 -3.245949530e+00 -2.837065191e+00 2.28 -3.294846970e+00 -3.303934952e+00 -2.918233367e+00 2.30 -3.271006378e+00 -3.349151024e+00 -2.987002340e+00 2.32 -3.247235858e+00 -3.382954586e+00 -3.044330002e+00 2.34 -3.225097740e+00 -3.407001013e+00 -3.091676206e+00 2.36 -3.205593082e+00 -3.422385991e+00 -3.130634142e+00 2.38 -3.188993048e+00 -3.430825814e+00 -3.162816732e+00 2.40 -3.174724604e+00 -3.433356963e+00 -3.189928939e+00 2.42 -3.162235959e+00 -3.430095911e+00 -3.213526870e+00 2.44 -3.150970501e+00 -3.421525705e+00 -3.234094801e+00 2.46 -3.140367179e+00 -3.408010774e+00 -3.251330937e+00 2.48 -3.129915159e+00 -3.389984530e+00 -3.264611903e+00 2.50 -3.119142384e+00 -3.367948400e+00 -3.273597537e+00 2.52 -3.107901199e+00 -3.342416140e+00 -3.278116890e+00 2.54 -3.099973407e+00 -3.314145825e+00 -3.278567905e+00 2.56 -3.094848158e+00 -3.284052400e+00 -3.275364066e+00 2.58 -3.091128379e+00 -3.253055569e+00 -3.268525614e+00 2.60 -3.088033741e+00 -3.222121436e+00 -3.258050382e+00 2.62 -3.084623474e+00 -3.191949693e+00 -3.244685910e+00 2.64 -3.078253676e+00 -3.163009475e+00 -3.229735779e+00 2.66 -3.067272764e+00 -3.135715284e+00 -3.214467631e+00 2.68 -3.051727846e+00 -3.110477750e+00 -3.200291499e+00 2.70 -3.032749069e+00 -3.087703563e+00 -3.186838783e+00 2.72 -3.011693495e+00 -3.067578524e+00 -3.172611315e+00 2.74 -2.989594729e+00 -3.050077395e+00 -3.157841470e+00 2.76 -2.967342411e+00 -3.035887352e+00 -3.142764152e+00 2.78 -2.945333209e+00 -3.031130891e+00 -3.127591981e+00 2.80 -2.923507408e+00 -3.034021446e+00 -3.112501660e+00 2.82 -2.901275990e+00 -3.040253888e+00 -3.097617631e+00 2.84 -2.877871119e+00 -3.045545693e+00 -3.083153999e+00 2.86 -2.852428712e+00 -3.046311715e+00 -3.071235999e+00 2.88 -2.824432333e+00 -3.041879948e+00 -3.063591294e+00 2.90 -2.794054466e+00 -3.033802600e+00 -3.057470403e+00 2.92 -2.762032728e+00 -3.023488721e+00 -3.050832077e+00 2.94 -2.728857561e+00 -3.011991074e+00 -3.042796818e+00 2.96 -2.694684681e+00 -3.000200773e+00 -3.033215495e+00 2.98 -2.659385670e+00 -2.988593707e+00 -3.022089635e+00 3.00 -2.622171279e+00 -2.977071510e+00 -3.008833276e+00 3.02 -2.583470762e+00 -2.965676775e+00 -2.992869378e+00 3.04 -2.544416948e+00 -2.954490929e+00 -2.974900443e+00 3.06 -2.505806872e+00 -2.943152340e+00 -2.955964626e+00 3.08 -2.468454707e+00 -2.930977701e+00 -2.937068287e+00 3.10 -2.433017675e+00 -2.917214243e+00 -2.918965471e+00 3.12 -2.399415155e+00 -2.900777852e+00 -2.902147621e+00 3.14 -2.366519212e+00 -2.880557520e+00 -2.886732440e+00 3.16 -2.333517040e+00 -2.858495799e+00 -2.871966421e+00 3.18 -2.299642546e+00 -2.835197771e+00 -2.856885086e+00 3.20 -2.264094190e+00 -2.810665275e+00 -2.840374399e+00 3.22 -2.227869982e+00 -2.784597314e+00 -2.821381846e+00 3.24 -2.194258531e+00 -2.756838808e+00 -2.799338045e+00 3.26 -2.162377936e+00 -2.727413467e+00 -2.774346800e+00 3.28 -2.130925556e+00 -2.696310456e+00 -2.747245554e+00 3.30 -2.098729956e+00 -2.663465711e+00 -2.719341446e+00 3.32 -2.064641642e+00 -2.628779908e+00 -2.692014217e+00 3.34 -2.029449376e+00 -2.592132423e+00 -2.666259848e+00 3.36 -1.997612556e+00 -2.553453955e+00 -2.643196886e+00 3.38 -1.968926702e+00 -2.512752299e+00 -2.622629431e+00 3.40 -1.942416170e+00 -2.470108067e+00 -2.603200591e+00 3.42 -1.916974683e+00 -2.425670847e+00 -2.582957847e+00 3.44 -1.891259494e+00 -2.379794458e+00 -2.559146125e+00 3.46 -1.863637668e+00 -2.333307871e+00 -2.528266496e+00 3.48 -1.834887879e+00 -2.287238696e+00 -2.491823398e+00 3.50 -1.806953722e+00 -2.242899050e+00 -2.454678813e+00 3.52 -1.779431290e+00 -2.201689653e+00 -2.416904606e+00 3.54 -1.751905661e+00 -2.164997365e+00 -2.378482116e+00 3.56 -1.723968285e+00 -2.134040037e+00 -2.339449489e+00 3.58 -1.695225663e+00 -2.108246281e+00 -2.300039905e+00 3.60 -1.665516219e+00 -2.085546653e+00 -2.260504824e+00 3.62 -1.635167129e+00 -2.063740940e+00 -2.221148899e+00 3.64 -1.604648606e+00 -2.040627671e+00 -2.182399915e+00 3.66 -1.574417962e+00 -2.013781825e+00 -2.144702899e+00 3.68 -1.544853707e+00 -1.981550920e+00 -2.108499893e+00 3.70 -1.516290865e+00 -1.949665764e+00 -2.074048751e+00 3.72 -1.489056082e+00 -1.919303008e+00 -2.041304776e+00 3.74 -1.463471444e+00 -1.890343539e+00 -2.010157770e+00 3.76 -1.439850899e+00 -1.862655059e+00 -1.980465712e+00 3.78 -1.418258834e+00 -1.836089651e+00 -1.952062636e+00 3.80 -1.398412841e+00 -1.810488383e+00 -1.924766552e+00 3.82 -1.379980045e+00 -1.785645039e+00 -1.898303411e+00 3.84 -1.362564041e+00 -1.761374011e+00 -1.872320137e+00 3.86 -1.345793337e+00 -1.737564516e+00 -1.846641616e+00 3.88 -1.329312169e+00 -1.714105966e+00 -1.821116467e+00 3.90 -1.312761064e+00 -1.690887266e+00 -1.795595427e+00 3.92 -1.295759226e+00 -1.667798641e+00 -1.769934029e+00 3.94 -1.277949713e+00 -1.644731479e+00 -1.743991562e+00 3.96 -1.259165029e+00 -1.621580425e+00 -1.717632190e+00 3.98 -1.239376645e+00 -1.598241803e+00 -1.690763331e+00 4.00 -1.218571877e+00 -1.574578792e+00 -1.663382011e+00 4.02 -1.196777872e+00 -1.550468030e+00 -1.635681406e+00 4.04 -1.174106502e+00 -1.525976871e+00 -1.608252614e+00 4.06 -1.150719360e+00 -1.501188011e+00 -1.581710938e+00 4.08 -1.126826680e+00 -1.476187869e+00 -1.556609654e+00 4.10 -1.102627260e+00 -1.451084510e+00 -1.533389895e+00 4.12 -1.078144580e+00 -1.426022672e+00 -1.512243758e+00 4.14 -1.053332375e+00 -1.401195101e+00 -1.492756007e+00 4.16 -1.028109465e+00 -1.376846349e+00 -1.474450388e+00 4.18 -1.002379570e+00 -1.353269423e+00 -1.456882032e+00 4.20 -9.760347303e-01 -1.330744544e+00 -1.439623321e+00 4.22 -9.489181897e-01 -1.309363408e+00 -1.422094199e+00 4.24 -9.207676383e-01 -1.288963836e+00 -1.403368564e+00 4.26 -8.913667897e-01 -1.269356002e+00 -1.384583643e+00 4.28 -8.609623941e-01 -1.250351929e+00 -1.366840104e+00 4.30 -8.300250347e-01 -1.231761294e+00 -1.349885439e+00 4.32 -7.989211369e-01 -1.213384818e+00 -1.333481318e+00 4.34 -7.678786658e-01 -1.195008389e+00 -1.317389640e+00 4.36 -7.371262631e-01 -1.176409122e+00 -1.301364123e+00 4.38 -7.068995785e-01 -1.157343084e+00 -1.285139921e+00 4.40 -6.774442012e-01 -1.137535293e+00 -1.268427715e+00 4.42 -6.489946511e-01 -1.116771028e+00 -1.251017687e+00 4.44 -6.213883527e-01 -1.095017699e+00 -1.232919289e+00 4.46 -5.942026948e-01 -1.072269450e+00 -1.214179692e+00 4.48 -5.669869274e-01 -1.048519497e+00 -1.194861720e+00 4.50 -5.404050880e-01 -1.023746811e+00 -1.175043971e+00 4.52 -5.163795991e-01 -9.979299266e-01 -1.154826749e+00 4.54 -4.966978751e-01 -9.711208580e-01 -1.134331524e+00 4.56 -4.826040838e-01 -9.434201814e-01 -1.113703967e+00 4.58 -4.744737624e-01 -9.149811729e-01 -1.093113936e+00 4.60 -4.712858752e-01 -8.860265374e-01 -1.072752016e+00 4.62 -4.699290770e-01 -8.568072622e-01 -1.052767425e+00 4.64 -4.655836030e-01 -8.275401708e-01 -1.033188590e+00 4.66 -4.530262968e-01 -7.984990399e-01 -1.014020489e+00 4.68 -4.298307508e-01 -7.700217535e-01 -9.952619479e-01 4.70 -3.970408013e-01 -7.423600144e-01 -9.769066292e-01 4.72 -3.580417224e-01 -7.155841380e-01 -9.589417401e-01 4.74 -3.178123953e-01 -6.897198896e-01 -9.413495692e-01 4.76 -2.819048886e-01 -6.647599977e-01 -9.241062426e-01 4.78 -2.535511897e-01 -6.406642330e-01 -9.071781617e-01 4.80 -2.322843282e-01 -6.173606418e-01 -8.905205152e-01 4.82 -2.153313471e-01 -5.947481565e-01 -8.740785250e-01 4.84 -1.995400395e-01 -5.727020907e-01 -8.577936363e-01 4.86 -1.824399820e-01 -5.512328744e-01 -8.416031231e-01 4.88 -1.639126576e-01 -5.306119418e-01 -8.254427248e-01 4.90 -1.457617974e-01 -5.112180152e-01 -8.092504347e-01 4.92 -1.324554172e-01 -4.934286961e-01 -7.929687930e-01 4.94 -1.256170683e-01 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