{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.210452 -2.9245537 2.3677143 ] [ -0.5542234 -13.1447415 -3.8725269 ] [ 0.7840825 0.1511262 4.2462104 ] [ 0.3053241 0.5209222 -0.5381377 ] [ 11.8803684 5.5238942 1.4361174 ] [ -3.2551042 4.7996527 -13.9766144 ] [ -2.9499953 5.0736998 10.3372369 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.950240999000601e-09 -4.685651564414137e-09 3.793496496193837e-09 ] [ -8.879637741802868e-10 -2.106019751775952e-08 -6.2044720625991e-09 ] [ 1.256238650278416e-09 2.42130864430345e-10 6.803179029877816e-09 ] [ 4.891831347868013e-10 8.346093700957018e-10 -8.621916417110843e-10 ] [ 1.903444849697111e-08 8.85025414301272e-09 2.300913723004082e-09 ] [ -5.215251847507888e-09 7.689891343899597e-09 -2.239300482961662e-08 ] [ -4.726413501129882e-09 8.128963200517636e-09 1.656207928485107e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.536818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.207531359482462e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.141073 2.9013157 2.7311031 ] [ 4.724964 0.9095768 1.2672633 ] [ 5.3293433 2.2529946 4.2919172 ] [ 3.4962012 0.975256 3.4551374 ] [ 5.4636067 3.7030923 2.3675391 ] [ 3.5845043 3.0984749 0.7626195 ] [ 3.5322436 4.6975921 3.8537884 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.141073e-10 2.9013157e-10 2.7311031e-10 ] [ 4.724964e-10 9.095768e-11 1.2672633e-10 ] [ 5.3293433e-10 2.2529946e-10 4.291917200000001e-10 ] [ 3.4962012e-10 9.75256e-11 3.4551374e-10 ] [ 5.463606699999999e-10 3.7030923e-10 2.3675391e-10 ] [ 3.5845043e-10 3.0984749e-10 7.626195e-11 ] [ 3.5322436e-10 4.697592099999999e-10 3.8537884e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.83e-05 -4.6e-06 4.2e-06 ] [ 2.14e-05 8.4e-06 1.95e-05 ] [ -6.9e-05 -1.4e-06 3.89e-05 ] [ 4.96e-05 1.66e-05 -3.47e-05 ] [ 3.53e-05 -4.56e-05 -3.46e-05 ] [ -6.85e-05 2.52e-05 1.32e-05 ] [ 3e-06 1.3e-06 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.534159836864e-14 -7.370012455680001e-15 6.72914180736e-15 ] [ 3.428657968511999e-14 1.345828361472e-14 3.12424441056e-14 ] [ -1.105501868352e-13 -2.24304726912e-15 6.232467054911999e-14 ] [ 7.946796039168e-14 2.659613190528e-14 -5.559552874176001e-14 ] [ 5.655683471424e-14 -7.305925390848e-14 -5.543531107968001e-14 ] [ -1.097490985248e-13 4.037485084416e-14 2.114873139456e-14 ] [ 4.8065298624e-15 2.08282960704e-15 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.508478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.965385073819114e-18 } }