{ "vc-comment" { "source-value" "Unable to perform verification check due to an error." } "vc-grade-basis" { "source-value" "passfail" } "vc-description" { "source-value" "Check that the model supports periodic boundary conditions correctly. If the simulation box is increased by an integer factor along a periodic direction, the total energy must multiply by that factor and the forces on atoms that are periodic copies of each other must be the same. The check is performed for a randomly distorted non-periodic face-centered cubic (FCC) cube base structure. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. For each configuration, all possible combinations of periodic boundary conditions are tested: TFF, FTF, FFT, TTF, TFT, TTF, TTT (where 'T' indicates periodicity along a direction, and 'F' indicates no periodicity). The verification check passes if the energy of all configurations that the model is able to compute support all periodic boundary conditions correctly. Configurations used for testing are provided as auxiliary files." } "vc-grade" { "source-value" "N/A" } "property-id" "tag:tadmor@noreply.openkim.org,2017-02-01:property/verification-check" "vc-files" { "source-value" [ "config-Ac-TTT.xyz" "config-Ac-TTF.xyz" "config-Ac-TFT.xyz" "config-Ac-TFF.xyz" "config-Ac-FTT.xyz" "config-Ac-FTF.xyz" "config-Ac-FFT.xyz" "config-Ag-TTT.xyz" "config-Ag-TTF.xyz" "config-Ag-TFT.xyz" "config-Ag-TFF.xyz" "config-Ag-FTT.xyz" "config-Ag-FTF.xyz" "config-Ag-FFT.xyz" "config-Al-TTT.xyz" "config-Al-TTF.xyz" "config-Al-TFT.xyz" "config-Al-TFF.xyz" "config-Al-FTT.xyz" "config-Al-FTF.xyz" "config-Al-FFT.xyz" "config-Am-TTT.xyz" "config-Am-TTF.xyz" "config-Am-TFT.xyz" "config-Am-TFF.xyz" "config-Am-FTT.xyz" "config-Am-FTF.xyz" "config-Am-FFT.xyz" "config-Ar-TTT.xyz" "config-Ar-TTF.xyz" "config-Ar-TFT.xyz" "config-Ar-TFF.xyz" "config-Ar-FTT.xyz" "config-Ar-FTF.xyz" "config-Ar-FFT.xyz" "config-As-TTT.xyz" "config-As-TTF.xyz" "config-As-TFT.xyz" "config-As-TFF.xyz" "config-As-FTT.xyz" "config-As-FTF.xyz" "config-As-FFT.xyz" "config-At-TTT.xyz" "config-At-TTF.xyz" "config-At-TFT.xyz" "config-At-TFF.xyz" "config-At-FTT.xyz" "config-At-FTF.xyz" "config-At-FFT.xyz" "config-Au-TTT.xyz" "config-Au-TTF.xyz" "config-Au-TFT.xyz" "config-Au-TFF.xyz" "config-Au-FTT.xyz" "config-Au-FTF.xyz" "config-Au-FFT.xyz" "config-B-TTT.xyz" "config-B-TTF.xyz" "config-B-TFT.xyz" "config-B-TFF.xyz" "config-B-FTT.xyz" "config-B-FTF.xyz" "config-B-FFT.xyz" "config-Ba-TTT.xyz" "config-Ba-TTF.xyz" "config-Ba-TFT.xyz" "config-Ba-TFF.xyz" "config-Ba-FTT.xyz" "config-Ba-FTF.xyz" "config-Ba-FFT.xyz" "config-Be-TTT.xyz" "config-Be-TTF.xyz" "config-Be-TFT.xyz" "config-Be-TFF.xyz" "config-Be-FTT.xyz" "config-Be-FTF.xyz" "config-Be-FFT.xyz" "config-Bh-TTT.xyz" "config-Bh-TTF.xyz" "config-Bh-TFT.xyz" "config-Bh-TFF.xyz" "config-Bh-FTT.xyz" "config-Bh-FTF.xyz" "config-Bh-FFT.xyz" "config-Bi-TTT.xyz" "config-Bi-TTF.xyz" "config-Bi-TFT.xyz" "config-Bi-TFF.xyz" "config-Bi-FTT.xyz" "config-Bi-FTF.xyz" "config-Bi-FFT.xyz" "config-Bk-TTT.xyz" "config-Bk-TTF.xyz" "config-Bk-TFT.xyz" "config-Bk-TFF.xyz" "config-Bk-FTT.xyz" "config-Bk-FTF.xyz" "config-Bk-FFT.xyz" "config-Br-TTT.xyz" "config-Br-TTF.xyz" "config-Br-TFT.xyz" "config-Br-TFF.xyz" "config-Br-FTT.xyz" "config-Br-FTF.xyz" "config-Br-FFT.xyz" "config-C-TTT.xyz" "config-C-TTF.xyz" "config-C-TFT.xyz" "config-C-TFF.xyz" "config-C-FTT.xyz" "config-C-FTF.xyz" "config-C-FFT.xyz" "config-Ca-TTT.xyz" "config-Ca-TTF.xyz" "config-Ca-TFT.xyz" "config-Ca-TFF.xyz" "config-Ca-FTT.xyz" "config-Ca-FTF.xyz" "config-Ca-FFT.xyz" "config-Cd-TTT.xyz" "config-Cd-TTF.xyz" "config-Cd-TFT.xyz" "config-Cd-TFF.xyz" "config-Cd-FTT.xyz" "config-Cd-FTF.xyz" "config-Cd-FFT.xyz" "config-Ce-TTT.xyz" "config-Ce-TTF.xyz" "config-Ce-TFT.xyz" "config-Ce-TFF.xyz" "config-Ce-FTT.xyz" "config-Ce-FTF.xyz" "config-Ce-FFT.xyz" "config-Cf-TTT.xyz" "config-Cf-TTF.xyz" "config-Cf-TFT.xyz" "config-Cf-TFF.xyz" "config-Cf-FTT.xyz" "config-Cf-FTF.xyz" "config-Cf-FFT.xyz" "config-Cl-TTT.xyz" "config-Cl-TTF.xyz" "config-Cl-TFT.xyz" "config-Cl-TFF.xyz" "config-Cl-FTT.xyz" "config-Cl-FTF.xyz" "config-Cl-FFT.xyz" "config-Cm-TTT.xyz" "config-Cm-TTF.xyz" "config-Cm-TFT.xyz" "config-Cm-TFF.xyz" "config-Cm-FTT.xyz" "config-Cm-FTF.xyz" "config-Cm-FFT.xyz" "config-Cn-TTT.xyz" "config-Cn-TTF.xyz" "config-Cn-TFT.xyz" "config-Cn-TFF.xyz" "config-Cn-FTT.xyz" "config-Cn-FTF.xyz" "config-Cn-FFT.xyz" "config-Co-TTT.xyz" "config-Co-TTF.xyz" "config-Co-TFT.xyz" "config-Co-TFF.xyz" "config-Co-FTT.xyz" "config-Co-FTF.xyz" "config-Co-FFT.xyz" "config-Cr-TTT.xyz" "config-Cr-TTF.xyz" "config-Cr-TFT.xyz" "config-Cr-TFF.xyz" "config-Cr-FTT.xyz" "config-Cr-FTF.xyz" "config-Cr-FFT.xyz" "config-Cs-TTT.xyz" "config-Cs-TTF.xyz" "config-Cs-TFT.xyz" "config-Cs-TFF.xyz" "config-Cs-FTT.xyz" "config-Cs-FTF.xyz" "config-Cs-FFT.xyz" "config-Cu-TTT.xyz" "config-Cu-TTF.xyz" "config-Cu-TFT.xyz" "config-Cu-TFF.xyz" "config-Cu-FTT.xyz" "config-Cu-FTF.xyz" "config-Cu-FFT.xyz" "config-Db-TTT.xyz" "config-Db-TTF.xyz" "config-Db-TFT.xyz" "config-Db-TFF.xyz" "config-Db-FTT.xyz" "config-Db-FTF.xyz" "config-Db-FFT.xyz" "config-Ds-TTT.xyz" "config-Ds-TTF.xyz" "config-Ds-TFT.xyz" "config-Ds-TFF.xyz" "config-Ds-FTT.xyz" "config-Ds-FTF.xyz" "config-Ds-FFT.xyz" "config-Dy-TTT.xyz" "config-Dy-TTF.xyz" "config-Dy-TFT.xyz" "config-Dy-TFF.xyz" "config-Dy-FTT.xyz" "config-Dy-FTF.xyz" "config-Dy-FFT.xyz" "config-Er-TTT.xyz" "config-Er-TTF.xyz" "config-Er-TFT.xyz" "config-Er-TFF.xyz" "config-Er-FTT.xyz" "config-Er-FTF.xyz" "config-Er-FFT.xyz" "config-Es-TTT.xyz" "config-Es-TTF.xyz" "config-Es-TFT.xyz" "config-Es-TFF.xyz" "config-Es-FTT.xyz" "config-Es-FTF.xyz" "config-Es-FFT.xyz" "config-Eu-TTT.xyz" "config-Eu-TTF.xyz" "config-Eu-TFT.xyz" "config-Eu-TFF.xyz" "config-Eu-FTT.xyz" "config-Eu-FTF.xyz" "config-Eu-FFT.xyz" "config-F-TTT.xyz" "config-F-TTF.xyz" "config-F-TFT.xyz" "config-F-TFF.xyz" "config-F-FTT.xyz" "config-F-FTF.xyz" "config-F-FFT.xyz" "config-Fe-TTT.xyz" "config-Fe-TTF.xyz" "config-Fe-TFT.xyz" "config-Fe-TFF.xyz" "config-Fe-FTT.xyz" "config-Fe-FTF.xyz" "config-Fe-FFT.xyz" "config-Fl-TTT.xyz" "config-Fl-TTF.xyz" "config-Fl-TFT.xyz" "config-Fl-TFF.xyz" "config-Fl-FTT.xyz" "config-Fl-FTF.xyz" "config-Fl-FFT.xyz" "config-Fm-TTT.xyz" "config-Fm-TTF.xyz" "config-Fm-TFT.xyz" "config-Fm-TFF.xyz" "config-Fm-FTT.xyz" "config-Fm-FTF.xyz" "config-Fm-FFT.xyz" "config-Fr-TTT.xyz" "config-Fr-TTF.xyz" "config-Fr-TFT.xyz" "config-Fr-TFF.xyz" "config-Fr-FTT.xyz" "config-Fr-FTF.xyz" "config-Fr-FFT.xyz" "config-Ga-TTT.xyz" "config-Ga-TTF.xyz" "config-Ga-TFT.xyz" "config-Ga-TFF.xyz" "config-Ga-FTT.xyz" "config-Ga-FTF.xyz" "config-Ga-FFT.xyz" "config-Gd-TTT.xyz" "config-Gd-TTF.xyz" "config-Gd-TFT.xyz" "config-Gd-TFF.xyz" "config-Gd-FTT.xyz" "config-Gd-FTF.xyz" "config-Gd-FFT.xyz" "config-Ge-TTT.xyz" "config-Ge-TTF.xyz" "config-Ge-TFT.xyz" "config-Ge-TFF.xyz" "config-Ge-FTT.xyz" "config-Ge-FTF.xyz" "config-Ge-FFT.xyz" "config-H-TTT.xyz" "config-H-TTF.xyz" "config-H-TFT.xyz" "config-H-TFF.xyz" "config-H-FTT.xyz" "config-H-FTF.xyz" "config-H-FFT.xyz" "config-He-TTT.xyz" "config-He-TTF.xyz" "config-He-TFT.xyz" "config-He-TFF.xyz" "config-He-FTT.xyz" "config-He-FTF.xyz" "config-He-FFT.xyz" "config-Hf-TTT.xyz" "config-Hf-TTF.xyz" "config-Hf-TFT.xyz" "config-Hf-TFF.xyz" "config-Hf-FTT.xyz" "config-Hf-FTF.xyz" "config-Hf-FFT.xyz" "config-Hg-TTT.xyz" "config-Hg-TTF.xyz" "config-Hg-TFT.xyz" "config-Hg-TFF.xyz" "config-Hg-FTT.xyz" "config-Hg-FTF.xyz" "config-Hg-FFT.xyz" "config-Ho-TTT.xyz" "config-Ho-TTF.xyz" "config-Ho-TFT.xyz" "config-Ho-TFF.xyz" "config-Ho-FTT.xyz" "config-Ho-FTF.xyz" "config-Ho-FFT.xyz" "config-Hs-TTT.xyz" "config-Hs-TTF.xyz" "config-Hs-TFT.xyz" "config-Hs-TFF.xyz" "config-Hs-FTT.xyz" "config-Hs-FTF.xyz" "config-Hs-FFT.xyz" "config-I-TTT.xyz" "config-I-TTF.xyz" "config-I-TFT.xyz" "config-I-TFF.xyz" "config-I-FTT.xyz" "config-I-FTF.xyz" "config-I-FFT.xyz" "config-In-TTT.xyz" "config-In-TTF.xyz" "config-In-TFT.xyz" "config-In-TFF.xyz" "config-In-FTT.xyz" "config-In-FTF.xyz" "config-In-FFT.xyz" "config-Ir-TTT.xyz" "config-Ir-TTF.xyz" "config-Ir-TFT.xyz" "config-Ir-TFF.xyz" "config-Ir-FTT.xyz" "config-Ir-FTF.xyz" "config-Ir-FFT.xyz" "config-K-TTT.xyz" "config-K-TTF.xyz" "config-K-TFT.xyz" "config-K-TFF.xyz" "config-K-FTT.xyz" "config-K-FTF.xyz" "config-K-FFT.xyz" "config-Kr-TTT.xyz" "config-Kr-TTF.xyz" "config-Kr-TFT.xyz" "config-Kr-TFF.xyz" "config-Kr-FTT.xyz" "config-Kr-FTF.xyz" "config-Kr-FFT.xyz" "config-La-TTT.xyz" "config-La-TTF.xyz" "config-La-TFT.xyz" "config-La-TFF.xyz" "config-La-FTT.xyz" "config-La-FTF.xyz" "config-La-FFT.xyz" "config-Li-TTT.xyz" "config-Li-TTF.xyz" "config-Li-TFT.xyz" "config-Li-TFF.xyz" "config-Li-FTT.xyz" "config-Li-FTF.xyz" "config-Li-FFT.xyz" "config-Lr-TTT.xyz" "config-Lr-TTF.xyz" "config-Lr-TFT.xyz" "config-Lr-TFF.xyz" "config-Lr-FTT.xyz" "config-Lr-FTF.xyz" "config-Lr-FFT.xyz" "config-Lu-TTT.xyz" "config-Lu-TTF.xyz" "config-Lu-TFT.xyz" "config-Lu-TFF.xyz" "config-Lu-FTT.xyz" "config-Lu-FTF.xyz" "config-Lu-FFT.xyz" "config-Lv-TTT.xyz" "config-Lv-TTF.xyz" "config-Lv-TFT.xyz" "config-Lv-TFF.xyz" "config-Lv-FTT.xyz" "config-Lv-FTF.xyz" "config-Lv-FFT.xyz" "config-Mc-TTT.xyz" "config-Mc-TTF.xyz" "config-Mc-TFT.xyz" "config-Mc-TFF.xyz" "config-Mc-FTT.xyz" "config-Mc-FTF.xyz" "config-Mc-FFT.xyz" "config-Md-TTT.xyz" "config-Md-TTF.xyz" "config-Md-TFT.xyz" "config-Md-TFF.xyz" "config-Md-FTT.xyz" "config-Md-FTF.xyz" "config-Md-FFT.xyz" "config-Mg-TTT.xyz" "config-Mg-TTF.xyz" "config-Mg-TFT.xyz" "config-Mg-TFF.xyz" "config-Mg-FTT.xyz" "config-Mg-FTF.xyz" "config-Mg-FFT.xyz" "config-Mn-TTT.xyz" "config-Mn-TTF.xyz" "config-Mn-TFT.xyz" "config-Mn-TFF.xyz" "config-Mn-FTT.xyz" "config-Mn-FTF.xyz" "config-Mn-FFT.xyz" "config-Mo-TTT.xyz" "config-Mo-TTF.xyz" "config-Mo-TFT.xyz" "config-Mo-TFF.xyz" "config-Mo-FTT.xyz" "config-Mo-FTF.xyz" "config-Mo-FFT.xyz" "config-Mt-TTT.xyz" "config-Mt-TTF.xyz" "config-Mt-TFT.xyz" "config-Mt-TFF.xyz" "config-Mt-FTT.xyz" "config-Mt-FTF.xyz" "config-Mt-FFT.xyz" "config-N-TTT.xyz" "config-N-TTF.xyz" "config-N-TFT.xyz" "config-N-TFF.xyz" "config-N-FTT.xyz" "config-N-FTF.xyz" "config-N-FFT.xyz" "config-Na-TTT.xyz" "config-Na-TTF.xyz" "config-Na-TFT.xyz" "config-Na-TFF.xyz" "config-Na-FTT.xyz" "config-Na-FTF.xyz" "config-Na-FFT.xyz" "config-Nb-TTT.xyz" "config-Nb-TTF.xyz" "config-Nb-TFT.xyz" "config-Nb-TFF.xyz" "config-Nb-FTT.xyz" "config-Nb-FTF.xyz" "config-Nb-FFT.xyz" "config-Nd-TTT.xyz" "config-Nd-TTF.xyz" "config-Nd-TFT.xyz" "config-Nd-TFF.xyz" "config-Nd-FTT.xyz" "config-Nd-FTF.xyz" "config-Nd-FFT.xyz" "config-Ne-TTT.xyz" "config-Ne-TTF.xyz" "config-Ne-TFT.xyz" "config-Ne-TFF.xyz" "config-Ne-FTT.xyz" "config-Ne-FTF.xyz" "config-Ne-FFT.xyz" "config-Nh-TTT.xyz" "config-Nh-TTF.xyz" "config-Nh-TFT.xyz" "config-Nh-TFF.xyz" "config-Nh-FTT.xyz" "config-Nh-FTF.xyz" "config-Nh-FFT.xyz" "config-Ni-TTT.xyz" "config-Ni-TTF.xyz" "config-Ni-TFT.xyz" "config-Ni-TFF.xyz" "config-Ni-FTT.xyz" "config-Ni-FTF.xyz" "config-Ni-FFT.xyz" "config-No-TTT.xyz" "config-No-TTF.xyz" "config-No-TFT.xyz" "config-No-TFF.xyz" "config-No-FTT.xyz" "config-No-FTF.xyz" "config-No-FFT.xyz" "config-Np-TTT.xyz" "config-Np-TTF.xyz" "config-Np-TFT.xyz" "config-Np-TFF.xyz" "config-Np-FTT.xyz" "config-Np-FTF.xyz" "config-Np-FFT.xyz" "config-O-TTT.xyz" "config-O-TTF.xyz" "config-O-TFT.xyz" "config-O-TFF.xyz" "config-O-FTT.xyz" "config-O-FTF.xyz" "config-O-FFT.xyz" "config-Og-TTT.xyz" "config-Og-TTF.xyz" "config-Og-TFT.xyz" "config-Og-TFF.xyz" "config-Og-FTT.xyz" "config-Og-FTF.xyz" "config-Og-FFT.xyz" "config-Os-TTT.xyz" "config-Os-TTF.xyz" "config-Os-TFT.xyz" "config-Os-TFF.xyz" "config-Os-FTT.xyz" "config-Os-FTF.xyz" "config-Os-FFT.xyz" "config-P-TTT.xyz" "config-P-TTF.xyz" "config-P-TFT.xyz" "config-P-TFF.xyz" "config-P-FTT.xyz" "config-P-FTF.xyz" "config-P-FFT.xyz" "config-Pa-TTT.xyz" "config-Pa-TTF.xyz" "config-Pa-TFT.xyz" "config-Pa-TFF.xyz" "config-Pa-FTT.xyz" "config-Pa-FTF.xyz" "config-Pa-FFT.xyz" "config-Pb-TTT.xyz" "config-Pb-TTF.xyz" "config-Pb-TFT.xyz" "config-Pb-TFF.xyz" "config-Pb-FTT.xyz" "config-Pb-FTF.xyz" "config-Pb-FFT.xyz" "config-Pd-TTT.xyz" "config-Pd-TTF.xyz" "config-Pd-TFT.xyz" "config-Pd-TFF.xyz" "config-Pd-FTT.xyz" "config-Pd-FTF.xyz" "config-Pd-FFT.xyz" "config-Pm-TTT.xyz" "config-Pm-TTF.xyz" "config-Pm-TFT.xyz" "config-Pm-TFF.xyz" "config-Pm-FTT.xyz" "config-Pm-FTF.xyz" "config-Pm-FFT.xyz" "config-Po-TTT.xyz" "config-Po-TTF.xyz" "config-Po-TFT.xyz" "config-Po-TFF.xyz" "config-Po-FTT.xyz" "config-Po-FTF.xyz" "config-Po-FFT.xyz" "config-Pr-TTT.xyz" "config-Pr-TTF.xyz" "config-Pr-TFT.xyz" "config-Pr-TFF.xyz" "config-Pr-FTT.xyz" "config-Pr-FTF.xyz" "config-Pr-FFT.xyz" "config-Pt-TTT.xyz" "config-Pt-TTF.xyz" "config-Pt-TFT.xyz" "config-Pt-TFF.xyz" "config-Pt-FTT.xyz" "config-Pt-FTF.xyz" "config-Pt-FFT.xyz" "config-Pu-TTT.xyz" "config-Pu-TTF.xyz" "config-Pu-TFT.xyz" "config-Pu-TFF.xyz" "config-Pu-FTT.xyz" "config-Pu-FTF.xyz" "config-Pu-FFT.xyz" "config-Ra-TTT.xyz" "config-Ra-TTF.xyz" "config-Ra-TFT.xyz" "config-Ra-TFF.xyz" "config-Ra-FTT.xyz" "config-Ra-FTF.xyz" "config-Ra-FFT.xyz" ] } "vc-name" { "source-value" "vc-periodicity-support" } "vc-category" { "source-value" "mandatory" } "instance-id" 1 }