{ "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" [ [ -9.950241080978567e-09 -4.685651603018245e-09 3.793496527447666e-09 ] [ -8.879637814960356e-10 -2.106019769127011e-08 -6.204472113716453e-09 ] [ 1.256238660628305e-09 2.421308664252107e-10 6.803179085927793e-09 ] [ 4.891831388170793e-10 8.346093769718747e-10 -8.621916488145018e-10 ] [ 1.903444865379196e-08 8.850254215928122e-09 2.300913741960831e-09 ] [ -5.215251890475262e-09 7.68989140725501e-09 -2.239300501410793e-08 ] [ -4.72641354006982e-09 8.128963267490473e-09 1.65620794213026e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.536818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.207531369431061e-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" [ [ 4.53415987422e-14 -7.370012516399999e-15 6.729141862799999e-15 ] [ 3.42865799676e-14 1.34582837256e-14 3.1242444363e-14 ] [ -1.10550187746e-13 -2.2430472876e-15 6.232467106259999e-14 ] [ 7.94679610464e-14 2.65961321244e-14 -5.55955291998e-14 ] [ 5.655683518019999e-14 -7.30592545104e-14 -5.54353115364e-14 ] [ -1.09749099429e-13 4.037485117679999e-14 2.11487315688e-14 ] [ 4.806529901999999e-15 2.0828296242e-15 -1.0414148121e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.508478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.965385098250305e-18 } }