# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Mn # implementation = 2025--Sharifi-H--Ni-Mn--LAMMPS--ipr1 # composition = Mn3Ni # 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 1.587914857e+03 nan nan 0.92 1.429806703e+03 nan nan 0.94 1.280997951e+03 nan nan 0.96 1.143224094e+03 nan nan 0.98 1.017256651e+03 1.316635389e+03 nan 1.00 9.032038556e+02 1.202468045e+03 nan 1.02 8.007318119e+02 1.092730422e+03 1.499360603e+03 1.04 7.092257813e+02 9.890380366e+02 1.363521284e+03 1.06 6.279064826e+02 8.923226187e+02 1.235693930e+03 1.08 5.559127314e+02 8.030288532e+02 1.116802872e+03 1.10 4.923590029e+02 7.212540737e+02 1.007240603e+03 1.12 4.363744265e+02 6.468539816e+02 9.070179073e+02 1.14 3.871281383e+02 5.795221534e+02 8.158808410e+02 1.16 3.438447117e+02 5.188493723e+02 7.334029322e+02 1.18 3.058124674e+02 4.643673506e+02 6.590502554e+02 1.20 2.723867611e+02 4.155805360e+02 5.922295445e+02 1.22 2.429898161e+02 3.719888072e+02 5.323232178e+02 1.24 2.171083764e+02 3.331032388e+02 4.787143335e+02 1.26 1.949004180e+02 2.984566586e+02 4.308038898e+02 1.28 1.774666385e+02 2.676103001e+02 3.880223085e+02 1.30 1.628088862e+02 2.401575751e+02 3.498365680e+02 1.32 1.496193332e+02 2.157252339e+02 3.157541065e+02 1.34 1.372591429e+02 1.943365508e+02 2.853243714e+02 1.36 1.254699510e+02 1.759797102e+02 2.581386928e+02 1.38 1.141932995e+02 1.598228251e+02 2.338289838e+02 1.40 1.034618107e+02 1.453289678e+02 2.120656722e+02 1.42 9.333695757e+01 1.321676404e+02 1.925551506e+02 1.44 8.387631727e+01 1.201347347e+02 1.750369622e+02 1.46 7.511882452e+01 1.091006533e+02 1.592808894e+02 1.48 6.708047162e+01 9.897759794e+01 1.450840531e+02 1.50 5.975560813e+01 8.969967835e+01 1.322681045e+02 1.52 5.312103524e+01 8.121192008e+01 1.206773300e+02 1.54 4.724052224e+01 7.373022920e+01 1.105752749e+02 1.56 4.238682492e+01 6.805172083e+01 1.031121886e+02 1.58 3.825580593e+01 6.344758946e+01 9.716441646e+01 1.60 3.460298008e+01 5.935226064e+01 9.186565428e+01 1.62 3.127977216e+01 5.545455187e+01 8.674122576e+01 1.64 2.820020948e+01 5.160534059e+01 8.156715361e+01 1.66 2.531787878e+01 4.775411763e+01 7.627278276e+01 1.68 2.261026331e+01 4.390633217e+01 7.087493303e+01 1.70 2.006831941e+01 4.009546131e+01 6.543451306e+01 1.72 1.768974805e+01 3.636540895e+01 6.002898658e+01 1.74 1.547482321e+01 3.275999101e+01 5.473579093e+01 1.76 1.342396053e+01 2.931719894e+01 4.962317259e+01 1.78 1.153641722e+01 2.606659477e+01 4.474591778e+01 1.80 9.809600402e+00 2.302863419e+01 4.014413402e+01 1.82 8.238888764e+00 2.021514312e+01 3.584387878e+01 1.84 6.817863477e+00 1.763041275e+01 3.185879706e+01 1.86 5.538680799e+00 1.527255302e+01 2.819220020e+01 1.88 4.392483188e+00 1.313488458e+01 2.483923556e+01 1.90 3.369793581e+00 1.120721856e+01 2.178893219e+01 1.92 2.460864356e+00 9.476954555e+00 1.902601510e+01 1.94 1.655967123e+00 7.930030288e+00 1.653243751e+01 1.96 9.456201748e-01 6.551697201e+00 1.428862345e+01 1.98 3.207572809e-01 5.327119868e+00 1.227443567e+01 2.00 -2.271560298e-01 4.241802383e+00 1.046987511e+01 2.02 -7.060503289e-01 3.281894064e+00 8.855591626e+00 2.04 -1.123231945e+00 2.434406196e+00 7.413254365e+00 2.06 -1.485393017e+00 1.687340263e+00 6.125783434e+00 2.08 -1.798578001e+00 1.029747063e+00 4.977472671e+00 2.10 -2.068206411e+00 4.517344041e-01 3.954030747e+00 2.12 -2.299113306e+00 -5.556156722e-02 3.042563698e+00 2.14 -2.495594989e+00 -5.000297355e-01 2.231517155e+00 2.16 -2.661456940e+00 -8.886565666e-01 1.510592695e+00 2.18 -2.800063995e+00 -1.227616194e+00 8.706405414e-01 2.20 -2.914402429e+00 -1.522377064e+00 3.034924503e-01 2.22 -3.007135818e+00 -1.777802905e+00 -1.981818228e-01 2.24 -3.080642275e+00 -1.998221478e+00 -6.409657027e-01 2.26 -3.137044308e+00 -2.187484233e+00 -1.030775104e+00 2.28 -3.178237758e+00 -2.349019298e+00 -1.372929271e+00 2.30 -3.205917435e+00 -2.485878573e+00 -1.672214089e+00 2.32 -3.221599704e+00 -2.600779586e+00 -1.932938635e+00 2.34 -3.226642376e+00 -2.696142654e+00 -2.158985663e+00 2.36 -3.222262211e+00 -2.774123919e+00 -2.353856655e+00 2.38 -3.209550324e+00 -2.836644690e+00 -2.520712002e+00 2.40 -3.189485725e+00 -2.885417524e+00 -2.662406795e+00 2.42 -3.162947256e+00 -2.921969417e+00 -2.781522691e+00 2.44 -3.130724123e+00 -2.947662424e+00 -2.880396233e+00 2.46 -3.093525252e+00 -2.963712093e+00 -2.961144120e+00 2.48 -3.051987804e+00 -2.971205528e+00 -3.025688097e+00 2.50 -3.006688810e+00 -2.971126298e+00 -3.075790260e+00 2.52 -2.958150972e+00 -2.964363253e+00 -3.113064337e+00 2.54 -2.906843656e+00 -2.951707963e+00 -3.138970003e+00 2.56 -2.853188726e+00 -2.933865214e+00 -3.154826882e+00 2.58 -2.797566072e+00 -2.911462948e+00 -3.161827793e+00 2.60 -2.740318558e+00 -2.885061014e+00 -3.161050290e+00 2.62 -2.681756377e+00 -2.855158864e+00 -3.153466728e+00 2.64 -2.622160826e+00 -2.822202324e+00 -3.139953044e+00 2.66 -2.561787529e+00 -2.786589545e+00 -3.121296493e+00 2.68 -2.500869141e+00 -2.748676235e+00 -3.098202572e+00 2.70 -2.439617639e+00 -2.708780276e+00 -3.071301446e+00 2.72 -2.378226222e+00 -2.667185784e+00 -3.041154208e+00 2.74 -2.316870948e+00 -2.624146713e+00 -3.008259412e+00 2.76 -2.255712129e+00 -2.579890066e+00 -2.973060332e+00 2.78 -2.194895557e+00 -2.534618757e+00 -2.935953386e+00 2.80 -2.134553598e+00 -2.488514211e+00 -2.897297977e+00 2.82 -2.074806154e+00 -2.441738701e+00 -2.857427492e+00 2.84 -2.015761542e+00 -2.394437498e+00 -2.816660384e+00 2.86 -1.957517262e+00 -2.346740806e+00 -2.775308939e+00 2.88 -1.900160701e+00 -2.298765522e+00 -2.733682060e+00 2.90 -1.843769750e+00 -2.250616812e+00 -2.692077883e+00 2.92 -1.788413384e+00 -2.202389495e+00 -2.650763441e+00 2.94 -1.734152191e+00 -2.154169252e+00 -2.609943069e+00 2.96 -1.681038898e+00 -2.106033661e+00 -2.569723792e+00 2.98 -1.629118895e+00 -2.058053063e+00 -2.530091512e+00 3.00 -1.578430782e+00 -2.010291297e+00 -2.490911621e+00 3.02 -1.529006963e+00 -1.962806317e+00 -2.451959376e+00 3.04 -1.480874296e+00 -1.915650708e+00 -2.412972369e+00 3.06 -1.434054805e+00 -1.868872137e+00 -2.373707547e+00 3.08 -1.388566472e+00 -1.822513752e+00 -2.333984565e+00 3.10 -1.344424100e+00 -1.776614544e+00 -2.293705458e+00 3.12 -1.301640235e+00 -1.731209680e+00 -2.252851439e+00 3.14 -1.260226144e+00 -1.686330828e+00 -2.211465085e+00 3.16 -1.220192815e+00 -1.642006456e+00 -2.169627757e+00 3.18 -1.181551961e+00 -1.598262125e+00 -2.127439545e+00 3.20 -1.144316981e+00 -1.555120772e+00 -2.085005068e+00 3.22 -1.108503859e+00 -1.512602971e+00 -2.042425278e+00 3.24 -1.074131923e+00 -1.470727198e+00 -1.999793760e+00 3.26 -1.041224424e+00 -1.429510063e+00 -1.957195714e+00 3.28 -1.009808807e+00 -1.388966548e+00 -1.914708188e+00 3.30 -9.799165078e-01 -1.349110211e+00 -1.872400714e+00 3.32 -9.515819935e-01 -1.309953384e+00 -1.830335978e+00 3.34 -9.248405890e-01 -1.271507338e+00 -1.788570408e+00 3.36 -8.997244154e-01 -1.233782418e+00 -1.747154669e+00 3.38 -8.762554978e-01 -1.196788154e+00 -1.706134107e+00 3.40 -8.544349065e-01 -1.160533323e+00 -1.665549141e+00 3.42 -8.342268987e-01 -1.125025971e+00 -1.625435619e+00 3.44 -8.155378713e-01 -1.090273403e+00 -1.585825154e+00 3.46 -7.981921629e-01 -1.056282122e+00 -1.546745424e+00 3.48 -7.819108278e-01 -1.023057747e+00 -1.508220366e+00 3.50 -7.663048111e-01 -9.906048967e-01 -1.470268517e+00 3.52 -7.508972496e-01 -9.589270701e-01 -1.432902918e+00 3.54 -7.351849475e-01 -9.280265188e-01 -1.396147527e+00 3.56 -7.187320765e-01 -8.979041312e-01 -1.360018837e+00 3.58 -7.012656270e-01 -8.685593364e-01 -1.324518828e+00 3.60 -6.827305053e-01 -8.399900349e-01 -1.289654589e+00 3.62 -6.632780336e-01 -8.121925609e-01 -1.255431101e+00 3.64 -6.431968942e-01 -7.851616798e-01 -1.221851416e+00 3.66 -6.228226882e-01 -7.588906190e-01 -1.188916840e+00 3.68 -6.024630450e-01 -7.333711314e-01 -1.156627115e+00 3.70 -5.823564748e-01 -7.085935862e-01 -1.124980598e+00 3.72 -5.626632406e-01 -6.845470842e-01 -1.093974445e+00 3.74 -5.434763848e-01 -6.612195925e-01 -1.063604794e+00 3.76 -5.248404746e-01 -6.385980926e-01 -1.033866951e+00 3.78 -5.067696947e-01 -6.166687380e-01 -1.004755575e+00 3.80 -4.892615071e-01 -5.954170174e-01 -9.762648598e-01 3.82 -4.723053418e-01 -5.748279174e-01 -9.483887051e-01 3.84 -4.558873728e-01 -5.548860817e-01 -9.211208838e-01 3.86 -4.399928056e-01 -5.355759615e-01 -8.944551854e-01 3.88 -4.246068344e-01 -5.168819538e-01 -8.683855395e-01 3.90 -4.097149926e-01 -4.987885216e-01 -8.429061105e-01 3.92 -3.953032629e-01 -4.812802951e-01 -8.180113596e-01 3.94 -3.813581026e-01 -4.643421477e-01 -7.936960699e-01 3.96 -3.678664383e-01 -4.479592477e-01 -7.699553354e-01 3.98 -3.548156472e-01 -4.321170843e-01 -7.467845126e-01 4.00 -3.421935280e-01 -4.168014701e-01 -7.241791415e-01 4.02 -3.298719228e-01 -4.019985218e-01 -7.021348397e-01 4.04 -3.163218770e-01 -3.876946264e-01 -6.806471795e-01 4.06 -2.986611186e-01 -3.738763959e-01 -6.597115577e-01 4.08 -2.798633087e-01 -3.605306177e-01 -6.393230660e-01 4.10 -2.699118435e-01 -3.476442074e-01 -6.194763746e-01 4.12 -2.604903682e-01 -3.352041674e-01 -6.001656329e-01 4.14 -2.513735066e-01 -3.231975568e-01 -5.813843975e-01 4.16 -2.425535155e-01 -3.116114742e-01 -5.631255870e-01 4.18 -2.340226719e-01 -3.004330552e-01 -5.453814682e-01 4.20 -2.257732722e-01 -2.896494834e-01 -5.281436691e-01 4.22 -2.177976377e-01 -2.792480139e-01 -5.114032186e-01 4.24 -2.100881253e-01 -2.692160061e-01 -4.951506062e-01 4.26 -2.026371418e-01 -2.594799677e-01 -4.793758567e-01 4.28 -1.954371613e-01 -2.488265290e-01 -4.640686151e-01 4.30 -1.884807426e-01 -2.341451620e-01 -4.492182345e-01 4.32 -1.817605473e-01 -2.149674848e-01 -4.348138638e-01 4.34 -1.752693560e-01 -2.042112053e-01 -4.208445299e-01 4.36 -1.690000833e-01 -1.969688460e-01 -4.072992118e-01 4.38 -1.629457895e-01 -1.899796186e-01 -3.941669053e-01 4.40 -1.567431053e-01 -1.832344910e-01 -3.814366764e-01 4.42 -1.441095035e-01 -1.767247509e-01 -3.690977047e-01 4.44 -1.088274301e-01 -1.704420093e-01 -3.571393164e-01 4.46 -4.375477723e-02 -1.643781979e-01 -3.455510091e-01 4.48 -1.617876904e-02 -1.585255638e-01 -3.343224692e-01 4.50 -1.543403559e-02 -1.528766597e-01 -3.234435838e-01 4.52 -1.472226614e-02 -1.474243329e-01 -3.129044480e-01 4.54 -1.404207369e-02 -1.421617132e-01 -3.026953695e-01 4.56 -1.339212527e-02 -1.370821995e-01 -2.928068706e-01 4.58 -1.277114034e-02 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