{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.5864122 -6.9671564 -0.1989773 ] [ -5.2520461 8.7974642 -6.0609233 ] [ 0.1520186 -2.0640845 6.3948819 ] [ -0.5702917 0.1853704 -0.2537488 ] [ 0.7244335 -0.0009234 0.1255019 ] [ -0.6405264 0.0493297 -0.0067345 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.950419094732534e-09 -1.116261518950356e-08 -3.187967807564082e-10 ] [ -8.414705542110827e-09 1.40950915796915e-08 -9.710669691726171e-09 ] [ 2.435606488533924e-10 -3.307027956501572e-09 1.024573035736952e-08 ] [ -9.137080363041376e-10 2.969961235152335e-10 -4.065503982655392e-10 ] [ 1.160670426586839e-09 -1.4794499038356e-12 2.010762117026046e-10 ] [ -1.026236431540137e-09 7.903489270222979e-11 -1.0789858541673e-11 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8396648 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.256052776095228e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.287184 0.8725497 1.7534414 ] [ 2.2074489 2.9274874 1.8500204 ] [ 0.4410377 2.8042559 3.3541928 ] [ 3.7073974 4.5583656 2.5488453 ] [ 5.2983081 4.3481636 4.1897886 ] [ 1.394189 3.4747895 -0.2563976 ] [ 5.3201578 2.8086833 5.8919458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.287184e-10 8.725497e-11 1.7534414e-10 ] [ 2.2074489e-10 2.9274874e-10 1.8500204e-10 ] [ 4.410377e-11 2.8042559e-10 3.3541928e-10 ] [ 3.7073974e-10 4.5583656e-10 2.5488453e-10 ] [ 5.2983081e-10 4.348163600000001e-10 4.1897886e-10 ] [ 1.394189e-10 3.4747895e-10 -2.563976e-11 ] [ 5.3201578e-10 2.8086833e-10 5.8919458e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.2e-06 9.4e-06 -7.5e-06 ] [ 2.4e-06 -2.02e-05 1.79e-05 ] [ 2.12e-05 9.5e-06 -1.22e-05 ] [ 5.4e-06 1.85e-05 2.78e-05 ] [ -3.4e-06 1.02e-05 -3.45e-05 ] [ 6.1e-06 -1.35e-05 1.58e-05 ] [ -2.54e-05 -1.39e-05 -7.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.9334951308e-15 1.50604603596e-14 -1.2016324755e-14 ] [ 3.845223921599999e-15 -3.236396800679999e-14 2.86789617486e-14 ] [ 3.39661446408e-14 1.5220678023e-14 -1.95465549348e-14 ] [ 8.6517538236e-15 2.9640267729e-14 4.454051042519999e-14 ] [ -5.4474005556e-15 1.63422016668e-14 -5.527509387299999e-14 ] [ 9.773277467399999e-15 -2.162938455899999e-14 2.53143908172e-14 ] [ -4.06952865036e-14 -2.22702552126e-14 -1.18561070916e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.276115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.447503451129691e-18 } }