{ "vc-comment" { "source-value" "The letter grade C was assigned because the normalized error in the computation was 9.76349e-06 compared with a machine precision of 2.22045e-16. The letter grade was based on 'score=log10(error/eps)', with ranges A=[0, 7.5], B=(7.5, 10.0], C=(10.0, 12.5], D=(12.5, 15.0), F>15.0. 'A' is the best grade, and 'F' indicates failure." } "vc-grade-basis" { "source-value" "graded" } "vc-description" { "source-value" "Comparison of the analytical forces obtained from the model with forces computed by numerical differentiation using Richardson extrapolation for a randomly distorted non-periodic structure based off the equilibrium face-centered cubic (fcc) structure. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files." } "vc-grade" { "source-value" "C" } "property-id" "tag:tadmor@noreply.openkim.org,2017-02-01:property/verification-check" "vc-files" { "source-value" [ "config-Ac.xyz" "config-Ag.xyz" "config-Al.xyz" "config-Am.xyz" "config-Ar.xyz" "config-As.xyz" "config-At.xyz" "config-Au.xyz" "config-B.xyz" "config-Ba.xyz" "config-Be.xyz" "config-Bh.xyz" "config-Bi.xyz" "config-Bk.xyz" "config-Br.xyz" "config-C.xyz" "config-Ca.xyz" "config-Cd.xyz" "config-Ce.xyz" "config-Cf.xyz" "config-Cl.xyz" "config-Cm.xyz" "config-Cn.xyz" "config-Co.xyz" "config-Cr.xyz" "config-Cs.xyz" "config-Cu.xyz" "config-Db.xyz" "config-Ds.xyz" "config-Dy.xyz" "config-Er.xyz" "config-Es.xyz" "config-Eu.xyz" "config-F.xyz" "config-Fe.xyz" "config-Fm.xyz" "config-Fr.xyz" "config-Ga.xyz" "config-Gd.xyz" "config-Ge.xyz" "config-H.xyz" "config-He.xyz" "config-Hf.xyz" "config-Hg.xyz" "config-Ho.xyz" "config-Hs.xyz" "config-I.xyz" "config-In.xyz" "config-Ir.xyz" "config-K.xyz" "config-Kr.xyz" "config-La.xyz" "config-Li.xyz" "config-Lr.xyz" "config-Lu.xyz" "config-Md.xyz" "config-Mg.xyz" "config-Mn.xyz" "config-Mo.xyz" "config-Mt.xyz" "config-N.xyz" "config-Na.xyz" "config-Nb.xyz" "config-Nd.xyz" "config-Ne.xyz" "config-Ni.xyz" "config-No.xyz" "config-Np.xyz" "config-O.xyz" "config-Os.xyz" "config-P.xyz" "config-Pa.xyz" "config-Pb.xyz" "config-Pd.xyz" "config-Pm.xyz" "config-Po.xyz" "config-Pr.xyz" "config-Pt.xyz" "config-Pu.xyz" "config-Ra.xyz" "config-Rb.xyz" "config-Re.xyz" "config-Rf.xyz" "config-Rg.xyz" "config-Rh.xyz" "config-Rn.xyz" "config-Ru.xyz" "config-S.xyz" "config-Sb.xyz" "config-Sc.xyz" "config-Se.xyz" "config-Sg.xyz" "config-Si.xyz" "config-Sm.xyz" "config-Sn.xyz" "config-Sr.xyz" "config-Ta.xyz" "config-Tb.xyz" "config-Tc.xyz" "config-Te.xyz" "config-Th.xyz" "config-Ti.xyz" "config-Tl.xyz" "config-Tm.xyz" "config-U.xyz" "config-V.xyz" "config-W.xyz" "config-Xe.xyz" "config-Y.xyz" "config-Yb.xyz" "config-Zn.xyz" "config-Zr.xyz" "config-AcAgAlAmArAsAtAuBBaBeBhBiBkBrCCaCdCeCfClCmCnCoCrCsCuDbDsDyErEsEuFFeFmFrGaGdGeHHeHfHgHoHsIInIrKKrLaLiLrLuMdMgMnMoMtNNaNbNdNeNiNoNpOOsPPaPbPdPmPoPrPtPuRaRbReRfRgRhRnRuSSbScSeSgSiSmSnSrTaTbTcTeThTiTlTmUVWXeYYbZnZr.xyz" ] } "vc-name" { "source-value" "vc-forces-numerical-derivative" } "vc-category" { "source-value" "consistency" } "instance-id" 1 }