{ "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" [ [ -5.8347858 -3.413337 -2.4810947 ] [ -2.3531625 -1.6571875 8.7354006 ] [ -6.9356403 6.0267863 -1.7429167 ] [ 1.6713511 -3.9044234 -3.0761316 ] [ 7.5888842 -3.0033901 3.7140737 ] [ 3.2005207 2.1734084 -6.4842159 ] [ 2.6628326 3.7781433 1.3348845 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.348357396135824e-09 -5.468768740311609e-09 -3.975151922330789e-09 ] [ -3.77018194244328e-09 -2.655107068782e-09 1.399565461464229e-08 ] [ -1.11121207389383e-08 9.655976108417735e-09 -2.792460388741888e-09 ] [ 2.677799657568363e-09 -6.255575889184447e-09 -4.928506132024097e-09 ] [ 1.215873284319851e-08 -4.811961401362174e-09 5.950602050068153e-09 ] [ 5.127799439926451e-09 3.482184125930335e-09 -1.038885911919963e-08 ] [ 4.266328136824079e-09 6.053252865292161e-09 2.138720737368298e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.084221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.93610563667804e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9025927 3.0360911 3.1931422 ] [ 2.4087349 1.7011895 4.5189146 ] [ 2.3588412 4.5084303 2.0495389 ] [ 4.9811854 1.859304 1.7556839 ] [ 4.5331234 2.5813518 3.9634338 ] [ 3.4750411 3.1942065 0.4299141 ] [ 4.0580704 4.8771387 3.6525474 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.025927000000001e-11 3.0360911e-10 3.1931422e-10 ] [ 2.4087349e-10 1.7011895e-10 4.5189146e-10 ] [ 2.3588412e-10 4.5084303e-10 2.0495389e-10 ] [ 4.9811854e-10 1.859304e-10 1.7556839e-10 ] [ 4.5331234e-10 2.5813518e-10 3.9634338e-10 ] [ 3.4750411e-10 3.1942065e-10 4.299141e-11 ] [ 4.0580704e-10 4.8771387e-10 3.6525474e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.3e-06 1e-07 2.7e-06 ] [ 1.3e-06 2.1e-06 -5e-06 ] [ 1.1e-06 -4.1e-06 0.0 ] [ -7e-06 4.9e-06 3e-06 ] [ 6.8e-06 -7e-07 4.6e-06 ] [ 3e-06 -5e-07 -5.5e-06 ] [ 1.2e-06 -1.7e-06 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.009371271104e-14 1.6021766208e-16 4.32587687616e-15 ] [ 2.08282960704e-15 3.36457090368e-15 -8.010883104e-15 ] [ 1.76239428288e-15 -6.568924145279999e-15 0.0 ] [ -1.12152363456e-14 7.850665441919999e-15 4.8065298624e-15 ] [ 1.089480102144e-14 -1.12152363456e-15 7.370012455680001e-15 ] [ 4.8065298624e-15 -8.010883104e-16 -8.8119714144e-15 ] [ 1.92261194496e-15 -2.72370025536e-15 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }