{ "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" [ [ 7.8876047 -21.637634 -3.5613452 ] [ -23.3906409 4.9646467 -10.1502467 ] [ -9.6203316 -7.7900303 19.3829649 ] [ -1.5807235 21.1399492 5.1642819 ] [ 20.5307443 -1.8353793 -0.1387813 ] [ 4.0561696 6.410658 -18.2307636 ] [ 2.1171775 -1.2522103 7.53389 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.26373358444522e-08 -3.466731132422718e-08 -5.705904018038299e-09 ] [ -3.747593799550827e-08 7.954240873271872e-09 -1.626248795809235e-08 ] [ -1.541347037386346e-08 -1.248100442198361e-08 3.105493320456701e-08 ] [ -2.532598235649149e-09 3.386993237313966e-08 8.274091723400603e-09 ] [ 3.289387852508286e-08 -2.940601804760269e-09 -2.22352154264231e-10 ] [ 6.498700103119687e-09 1.027100637154449e-08 -2.920890321925164e-08 ] [ 3.392092292583792e-09 -2.006262066984954e-09 1.207062242167891e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.3925489 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.639815774100758e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.4858551 0.8240325 3.135676 ] [ 1.5293556 3.8356108 2.1296464 ] [ 1.2698553 1.6429557 2.9773118 ] [ 2.4651683 5.0603735 3.9234771 ] [ 4.8163698 2.6208842 2.3645255 ] [ 3.407951 3.5689938 0.7193738 ] [ 4.6811679 4.2414446 4.0818261 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.4858551e-10 8.240325e-11 3.135676e-10 ] [ 1.5293556e-10 3.8356108e-10 2.1296464e-10 ] [ 1.2698553e-10 1.6429557e-10 2.9773118e-10 ] [ 2.4651683e-10 5.0603735e-10 3.9234771e-10 ] [ 4.816369800000001e-10 2.6208842e-10 2.3645255e-10 ] [ 3.407951e-10 3.5689938e-10 7.193738e-11 ] [ 4.6811679e-10 4.241444600000001e-10 4.0818261e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-06 -1.17e-05 -7.8e-06 ] [ 2.19e-05 7.9e-06 -1.66e-05 ] [ -1.5e-06 1e-06 1.76e-05 ] [ -8e-06 1e-07 2.1e-05 ] [ -1.94e-05 1.45e-05 -1.1e-06 ] [ 5.5e-06 -1.37e-05 -1.33e-05 ] [ -1.8e-06 1.9e-06 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.44740051072e-15 -1.874546646336e-14 -1.249697764224e-14 ] [ 3.508766799552e-14 1.265719530432e-14 -2.659613190528e-14 ] [ -2.4032649312e-15 1.6021766208e-15 2.819830852608e-14 ] [ -1.28174129664e-14 1.6021766208e-16 3.36457090368e-14 ] [ -3.108222644352e-14 2.32315610016e-14 -1.76239428288e-15 ] [ 8.8119714144e-15 -2.194981970496e-14 -2.130894905664e-14 ] [ -2.88391791744e-15 3.04413557952e-15 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }