{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.336271 1.731327 1.289714 ] [ 2.769645 4.287083 1.737277 ] [ 4.480326 1.077167 0.108092 ] [ 5.392167 2.307543 2.197028 ] [ 3.12468 2.46702 3.187134 ] [ 4.416093 3.533887 0.3236582 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.336271e-10 1.731327e-10 1.289714e-10 ] [ 2.769645e-10 4.287083e-10 1.737277e-10 ] [ 4.480326e-10 1.077167e-10 1.08092e-11 ] [ 5.392167e-10 2.307543e-10 2.197028e-10 ] [ 3.12468e-10 2.467020000000001e-10 3.187134e-10 ] [ 4.416093e-10 3.533887e-10 3.236582e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0960282 -4.7175374 -2.1907253 ] [ -1.1155989 3.8815178 -0.1155348 ] [ -0.3949136 -1.7376913 -0.820439 ] [ 2.1796797 -0.3466437 2.1457527 ] [ 1.1034612 -0.5358679 3.8671346 ] [ 2.3233999 3.4562225 -2.8861882 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.562560620177507e-09 -7.558328130029618e-09 -3.509928858255066e-09 ] [ -1.787386475770197e-09 6.21887707237905e-09 -1.851071554488039e-10 ] [ -6.327213371559628e-10 -2.78408837502756e-09 -1.314488184592531e-09 ] [ 3.492231856172357e-09 -5.553844318876089e-10 3.437874809958476e-09 ] [ 1.767939736599913e-09 -8.585550212171923e-10 6.19583264560676e-09 ] [ 3.722497000549058e-09 5.537478885782928e-09 -4.624183257268834e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3132796 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.171716559649358e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3373283 1.1014482 1.2960853 ] [ 3.1269166 4.5593367 1.7898898 ] [ 4.5126756 1.5216544 0.3008625 ] [ 5.317592 1.8362133 2.5707336 ] [ 3.0632178 2.5850736 3.0768404 ] [ 4.1614518 3.8003008 -0.1915084 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3373283e-10 1.1014482e-10 1.2960853e-10 ] [ 3.1269166e-10 4.559336700000001e-10 1.7898898e-10 ] [ 4.5126756e-10 1.5216544e-10 3.008625e-11 ] [ 5.317592000000001e-10 1.8362133e-10 2.5707336e-10 ] [ 3.0632178e-10 2.5850736e-10 3.0768404e-10 ] [ 4.1614518e-10 3.8003008e-10 -1.915084e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 -4.3e-06 -1.85e-05 ] [ -3.9e-06 -1.82e-05 -9.7e-06 ] [ -2.51e-05 3.7e-06 -2.9e-06 ] [ 3.39e-05 8e-07 4.1e-06 ] [ -1.19e-05 1.9e-05 1.46e-05 ] [ 9.2e-06 -9e-07 1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 -6.889359469440001e-15 -2.96402674848e-14 ] [ -6.24848882112e-15 -2.915961449856e-14 -1.554111322176e-14 ] [ -4.021463318208e-14 5.928053496960001e-15 -4.646312200320001e-15 ] [ 5.431378744512e-14 1.28174129664e-15 6.568924145279999e-15 ] [ -1.906590178752e-14 3.04413557952e-14 2.339177866368e-14 ] [ 1.474002491136e-14 -1.44195895872e-15 1.970677243584e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }