{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.717363 2.851349 1.457488 ] [ 0.2108152 2.748454 1.624055 ] [ 2.409053 4.258926 3.949315 ] [ 4.77033 2.580775 2.438947 ] [ 3.623649 2.286945 4.240246 ] [ 4.139768 4.74377 1.918983 ] [ 5.145543 4.155434 3.91724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.717363e-10 2.851349e-10 1.457488e-10 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.409053e-10 4.258926e-10 3.949315e-10 ] [ 4.770330000000001e-10 2.580775e-10 2.438947e-10 ] [ 3.623649e-10 2.286945e-10 4.240246e-10 ] [ 4.139768e-10 4.743769999999999e-10 1.918983e-10 ] [ 5.145543e-10 4.155434e-10 3.91724e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0467359 0.9880943 0.7719328 ] [ 0.0 0.0 0.0 ] [ 4.8854384 -8.2923178 1.4794041 ] [ 0.1785452 -6.4997612 -4.5819058 ] [ -9.392969 4.3780685 2.2838544 ] [ -1.9619746 3.4011588 -0.95891 ] [ 3.244224 6.0247574 1.0056245 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.881409028732046e-09 1.583101586605741e-09 1.236772684988682e-09 ] [ 0.0 0.0 0.0 ] [ 7.82733518683856e-09 -1.328575771140369e-08 2.370266661735665e-09 ] [ 2.860609451960601e-10 -1.041376543542295e-08 -7.341022351467922e-09 ] [ -1.504919533169916e-08 7.014438994960926e-09 3.659138124991212e-09 ] [ -3.143429834723432e-09 5.449257112988184e-09 -1.536343183451328e-09 ] [ 5.197819845438259e-09 9.652725452271793e-09 1.61118806320369e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7463773 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.080888798515583e-18 } "relaxed-configuration-positions" { "source-value" [ [ 4.0214714 2.9920667 0.8047797 ] [ 0.2108152 2.748454 1.624055 ] [ 2.6247632 3.7296392 5.433876 ] [ 3.6186183 1.3544633 2.2248348 ] [ 3.1933685 1.9261404 4.3098488 ] [ 4.4086752 5.0157448 1.5937032 ] [ 4.9388094 5.8591445 3.5551765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.0214714e-10 2.9920667e-10 8.047797000000001e-11 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.6247632e-10 3.7296392e-10 5.433876e-10 ] [ 3.6186183e-10 1.3544633e-10 2.2248348e-10 ] [ 3.1933685e-10 1.9261404e-10 4.3098488e-10 ] [ 4.4086752e-10 5.015744800000001e-10 1.5937032e-10 ] [ 4.9388094e-10 5.859144500000001e-10 3.5551765e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1007264 0.3250391 0.2011345 ] [ 0.0 0.0 0.0 ] [ -0.0371681 0.0238274 0.2240917 ] [ -0.0307392 0.1429511 -0.0251425 ] [ -0.056645 -0.2570109 -0.0890868 ] [ -0.0161252 -0.487892 -0.3721457 ] [ 0.0399511 0.2530854 0.0611488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.613814831773491e-10 5.207700468658733e-10 3.222529935362976e-10 ] [ 0.0 0.0 0.0 ] [ -5.954986085955649e-11 3.817570321444992e-11 3.590344826553274e-10 ] [ -4.924962758209536e-11 2.290329103376429e-10 -4.0282725688464e-11 ] [ -9.0755294685216e-11 -4.117768552707667e-10 -1.427327881818855e-10 ] [ -2.583541844572416e-11 -7.816891558753536e-10 -5.962431400712506e-10 ] [ 6.400871839524289e-11 4.054875109458163e-10 9.797117774997505e-11 ] ] } "relaxed-potential-energy" { "source-value" -13.152697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.10729436338663e-18 } }