{ "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" [ [ 5.0279855 -1.3476143 -3.1927698 ] [ -4.0360736 3.9817739 -3.6926582 ] [ 5.8119166 4.3187987 7.3693762 ] [ -1.4547243 -1.8210304 -0.7662452 ] [ 0.044568 -1.4922705 -1.7043477 ] [ 0.3229842 -1.3371359 5.2888405 ] [ -5.7166564 -2.3025215 -3.3021959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.055720884190805e-09 -2.159116143104266e-09 -5.115381171300853e-09 ] [ -6.466502815024261e-09 6.379505104451052e-09 -5.916290685388498e-09 ] [ 9.311716975276723e-09 6.919478364089576e-09 1.180704235479571e-08 ] [ -2.330725282372006e-09 -2.917612356683673e-09 -1.227660155354657e-09 ] [ 7.1405808224112e-11 -2.390880926707497e-09 -2.730666061151642e-09 ] [ 5.174777383911827e-10 -2.14232789546256e-09 8.473656670052876e-09 ] [ -9.159093308686557e-09 -3.68904614658263e-09 -5.290701111870601e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.292033 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.411359776295692e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3001249 1.6449274 2.4705759 ] [ 1.2590975 3.0455608 1.8032391 ] [ 1.6534412 2.6318715 4.1697758 ] [ 2.8872256 4.5820154 3.0528082 ] [ 5.1176194 3.4530884 2.483801 ] [ 3.4000747 3.5531002 0.7612514 ] [ 4.0381398 2.8837313 4.5903853 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3001249e-10 1.6449274e-10 2.4705759e-10 ] [ 1.2590975e-10 3.0455608e-10 1.8032391e-10 ] [ 1.6534412e-10 2.6318715e-10 4.1697758e-10 ] [ 2.8872256e-10 4.582015400000001e-10 3.0528082e-10 ] [ 5.1176194e-10 3.4530884e-10 2.483801e-10 ] [ 3.4000747e-10 3.5531002e-10 7.612514e-11 ] [ 4.0381398e-10 2.8837313e-10 4.590385300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.2e-06 -7.54e-05 -2.82e-05 ] [ -1.69e-05 6.9e-06 3.55e-05 ] [ -1.36e-05 1.2e-06 -8.5e-06 ] [ -1.09e-05 2.29e-05 -3.5e-06 ] [ -5.5e-06 -1.6e-06 2.7e-06 ] [ 3.08e-05 1.9e-05 -4.4e-06 ] [ 1.09e-05 2.7e-05 6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.331318496799998e-15 -1.208041182036e-13 -4.51813810788e-14 ] [ -2.70767851146e-14 1.10550187746e-14 5.6877270507e-14 ] [ -2.17896022224e-14 1.9226119608e-15 -1.3618501389e-14 ] [ -1.74637253106e-14 3.66898449186e-14 -5.607618218999999e-15 ] [ -8.811971486999999e-15 -2.5634826144e-15 4.3258769118e-15 ] [ 4.93470403272e-14 3.0441356046e-14 -7.0495771896e-15 ] [ 1.74637253106e-14 4.325876911799999e-14 1.0414148121e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }