{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.3283985 -14.8578049 -16.2803771 ] [ 7.7833159 -0.4942502 23.2969961 ] [ -11.8107485 13.0167107 -8.0236608 ] [ -2.2903072 -4.217862 -3.8285286 ] [ 5.3358481 -2.2160469 6.3224749 ] [ 1.3196018 -1.624586 -12.47093 ] [ 9.9906884 10.3938393 10.9840256 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.654791874334065e-08 -2.38048278433107e-08 -2.608403978232868e-08 ] [ 1.247024687002068e-08 -7.918761217898267e-10 3.732590279380912e-08 ] [ -1.892290527675055e-08 2.085506973507778e-08 -1.285532185290175e-08 ] [ -3.669476680521965e-09 -6.757759941836508e-09 -6.133979065520732e-09 ] [ 8.548971148393294e-09 -3.550498563028134e-09 1.012972155383148e-08 ] [ 2.114235170144341e-09 -2.602873729123524e-09 -1.998063265024962e-08 ] [ 1.600684751205484e-08 1.665276646401091e-08 1.759834916357783e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5913398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.356137346314233e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6174002 2.2775782 2.7047527 ] [ 2.4206697 2.0042155 5.0879038 ] [ 2.2892408 4.5589045 2.054828 ] [ 3.831582 1.6867895 1.8026605 ] [ 4.6195522 2.5613416 3.9688762 ] [ 3.8243567 3.681096 0.246358 ] [ 4.1147875 4.9877867 3.6977959 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6174002e-10 2.2775782e-10 2.7047527e-10 ] [ 2.4206697e-10 2.0042155e-10 5.087903800000001e-10 ] [ 2.2892408e-10 4.5589045e-10 2.054828e-10 ] [ 3.831582e-10 1.6867895e-10 1.8026605e-10 ] [ 4.6195522e-10 2.5613416e-10 3.9688762e-10 ] [ 3.8243567e-10 3.681096e-10 2.46358e-11 ] [ 4.1147875e-10 4.9877867e-10 3.6977959e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 -1.15e-05 -5e-07 ] [ -1.1e-06 -9.6e-06 5e-07 ] [ 2.5e-06 -1.6e-06 3.5e-06 ] [ -9e-06 -2.2e-06 -1.4e-06 ] [ -8.7e-06 1.08e-05 -8.4e-06 ] [ 6.8e-06 -3.8e-06 1.9e-06 ] [ 1.36e-05 1.79e-05 4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706535999999e-15 -1.8425031291e-14 -8.010883169999999e-16 ] [ -1.7623942974e-15 -1.53808956864e-14 8.010883169999999e-16 ] [ 4.005441585e-15 -2.5634826144e-15 5.607618218999999e-15 ] [ -1.4419589706e-14 -3.5247885948e-15 -2.2430472876e-15 ] [ -1.39389367158e-14 1.73035076472e-14 -1.34582837256e-14 ] [ 1.08948011112e-14 -6.088271209199999e-15 3.0441356046e-15 ] [ 2.17896022224e-14 2.86789617486e-14 7.0495771896e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735037903988e-18 } }