{ "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" [ [ 5.8053992 -4.6457425 -0.6066924 ] [ -6.2546511 7.1446921 -5.3434083 ] [ 4.5676625 0.9401158 6.8221458 ] [ -1.413438 -0.0550167 -0.3349913 ] [ 1.1854713 -1.6964235 -0.685248 ] [ 0.0547441 -0.2554874 3.0258551 ] [ -3.9451879 -1.4321378 -2.8776608 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.301274872651023e-09 -7.443300019756944e-09 -9.72028379297042e-10 ] [ -1.0021055763681e-08 1.144705864543446e-08 -8.561083853648673e-09 ] [ 7.31820206920488e-09 1.506231555604689e-09 1.093028250444891e-08 ] [ -2.26457731855031e-09 -8.814647049356737e-11 -5.36715229031399e-10 ] [ 1.899334401489383e-09 -2.717970070675709e-09 -1.097888325049958e-09 ] [ 8.770971714673728e-11 -4.093359391889779e-10 4.847954299148446e-09 ] [ -6.320887818043049e-09 -2.294537700923946e-09 -4.610520856352625e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.581516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.977087051422114e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1806103 1.6131798 2.2200775 ] [ 1.2229012 3.1127082 1.8232144 ] [ 1.8382417 2.4580188 4.1421822 ] [ 2.8964477 4.53642 3.0395558 ] [ 5.0601047 3.2107858 2.574114 ] [ 3.412964 3.6244083 0.7573189 ] [ 4.0444533 3.2387741 4.7753739 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1806103e-10 1.6131798e-10 2.2200775e-10 ] [ 1.2229012e-10 3.1127082e-10 1.8232144e-10 ] [ 1.8382417e-10 2.4580188e-10 4.1421822e-10 ] [ 2.8964477e-10 4.53642e-10 3.0395558e-10 ] [ 5.0601047e-10 3.2107858e-10 2.574114e-10 ] [ 3.412964e-10 3.6244083e-10 7.573189e-11 ] [ 4.0444533e-10 3.2387741e-10 4.7753739e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.26e-05 0.0001578 3.07e-05 ] [ 4.52e-05 -7.1e-06 -2.86e-05 ] [ -9.17e-05 -1.45e-05 0.0001137 ] [ -3.74e-05 -7.41e-05 -8.02e-05 ] [ 9.97e-05 6.09e-05 -2.46e-05 ] [ -2.2e-06 -3.23e-05 -2.7e-05 ] [ 2.89e-05 -9.08e-05 1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.825272404608e-14 2.5282347076224e-13 4.918682225856e-14 ] [ 7.241838326016e-14 -1.137545400768e-14 -4.582225135488e-14 ] [ -1.4691959612736e-13 -2.32315610016e-14 1.8216748178496e-13 ] [ -5.992140561792e-14 -1.1872128760128e-13 -1.2849456498816e-13 ] [ 1.5973700909376e-13 9.757255620672e-14 -3.941354487168e-14 ] [ -3.52478856576e-15 -5.175030485184e-14 -4.32587687616e-14 ] [ 4.630290434112001e-14 -1.4547763716864e-13 2.56348259328e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.385491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.586551032532881e-18 } }