{ "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" [ [ 5.0279854 -1.3476141 -3.1927698 ] [ -4.0360735 3.9817739 -3.6926582 ] [ 5.8119169 4.3187988 7.3693762 ] [ -1.4547243 -1.8210305 -0.766245 ] [ 0.0445679 -1.4922705 -1.7043477 ] [ 0.3229842 -1.3371361 5.2888406 ] [ -5.7166567 -2.3025215 -3.3021961 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.055720657603738e-09 -2.159115804880433e-09 -5.115381129156292e-09 ] [ -6.466502601530428e-09 6.379505051891637e-09 -5.91629063664541e-09 ] [ 9.31171737921241e-09 6.919478467299095e-09 1.180704225751994e-08 ] [ -2.330725263169646e-09 -2.917612492863734e-09 -1.227659824804896e-09 ] [ 7.140564741815231e-11 -2.390880907009527e-09 -2.730666038654253e-09 ] [ 5.174777341277914e-10 -2.142328198247691e-09 8.473656760457845e-09 ] [ -9.15909371387968e-09 -3.689046116189347e-09 -5.29070138871694e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.292033 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.411359748190209e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3001007 1.6449102 2.4706566 ] [ 1.2590894 3.0455367 1.8032558 ] [ 1.6534393 2.631962 4.1698097 ] [ 2.8872486 4.582037 3.0527271 ] [ 5.1176274 3.4530341 2.4837693 ] [ 3.4000744 3.5529861 0.7612257 ] [ 4.0381433 2.8838289 4.5903926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3001007e-10 1.6449102e-10 2.4706566e-10 ] [ 1.2590894e-10 3.0455367e-10 1.8032558e-10 ] [ 1.6534393e-10 2.631962e-10 4.1698097e-10 ] [ 2.8872486e-10 4.582037e-10 3.0527271e-10 ] [ 5.1176274e-10 3.4530341e-10 2.4837693e-10 ] [ 3.4000744e-10 3.5529861e-10 7.612257e-11 ] [ 4.0381433e-10 2.8838289e-10 4.590392600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.1e-06 -0.000114 -3.64e-05 ] [ 3.8e-05 3.14e-05 7.1e-06 ] [ 3.02e-05 8.87e-05 -1.9e-05 ] [ 5.2e-06 -8.75e-05 -3.12e-05 ] [ -6.88e-05 6.38e-05 2.81e-05 ] [ -2.45e-05 2.04e-05 3.74e-05 ] [ 1.17e-05 -2.8e-06 1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.297763062848e-14 -1.826481347712e-13 -5.831922899712e-14 ] [ 6.08827115904e-14 5.030834589312e-14 1.137545400768e-14 ] [ 4.838573394816e-14 1.4211306626496e-13 -3.04413557952e-14 ] [ 8.33131842816e-15 -1.4019045432e-13 -4.998791056896e-14 ] [ -1.1022975151104e-13 1.0221886840704e-13 4.502116304448e-14 ] [ -3.92533272096e-14 3.268440306432e-14 5.992140561792e-14 ] [ 1.874546646336e-14 -4.48609453824e-15 2.24304726912e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }