{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7152873 1.3378184 0.0381623 ] [ -0.7876554 -4.605983 0.7532069 ] [ -5.2461438 -0.5111871 -1.9420132 ] [ 1.4999446 3.5742605 3.2987963 ] [ -0.8940826 0.0118517 -1.0729444 ] [ 3.162211 3.2621309 -0.4863342 ] [ 1.550439 -3.0688914 -0.5888736 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.146016589215156e-09 2.143421363356063e-09 6.114274485595585e-11 ] [ -1.261963067126872e-09 -7.379598278402247e-09 1.206770485805244e-09 ] [ -8.405248945714871e-09 -8.190120204745517e-10 -3.111448146324995e-09 ] [ 2.403176170615208e-09 5.726596609748918e-09 5.285254308641542e-09 ] [ -1.432478238784078e-09 1.898851665673536e-11 -1.719046433098283e-09 ] [ 5.066420534236589e-09 5.226509861969262e-09 -7.791932851354714e-10 ] [ 2.484077117776531e-09 -4.916906052854181e-09 -9.434795145263309e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.567142 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.693042786107376e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9829586 1.3410481 2.3244689 ] [ 1.5776596 2.8111134 3.3616817 ] [ 1.4333394 3.8739801 1.3464255 ] [ 3.3491038 4.1356761 3.9852061 ] [ 4.8244589 2.71797 2.9726903 ] [ 3.2748319 5.2509288 1.9946152 ] [ 3.7372387 3.133848 0.7758178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9829586e-10 1.3410481e-10 2.3244689e-10 ] [ 1.5776596e-10 2.8111134e-10 3.3616817e-10 ] [ 1.4333394e-10 3.8739801e-10 1.3464255e-10 ] [ 3.3491038e-10 4.135676100000001e-10 3.9852061e-10 ] [ 4.8244589e-10 2.71797e-10 2.9726903e-10 ] [ 3.2748319e-10 5.2509288e-10 1.9946152e-10 ] [ 3.7372387e-10 3.133848e-10 7.758178e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 1.23e-05 5.1e-06 ] [ -9.7e-06 1.39e-05 -1.41e-05 ] [ 1.02e-05 -1.3e-06 6.5e-06 ] [ -4.2e-06 -1.06e-05 8.3e-06 ] [ 1.27e-05 1.21e-05 -3.9e-06 ] [ 1.8e-06 -3.33e-05 -1.9e-06 ] [ -1.58e-05 6.9e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665441919999e-15 1.970677243584e-14 8.17110076608e-15 ] [ -1.554111322176e-14 2.227025502912e-14 -2.259069035328e-14 ] [ 1.634220153216e-14 -2.08282960704e-15 1.04141480352e-14 ] [ -6.72914180736e-15 -1.698307218048e-14 1.329806595264e-14 ] [ 2.034764308416e-14 1.938633711168e-14 -6.24848882112e-15 ] [ 2.88391791744e-15 -5.335248147264001e-14 -3.04413557952e-15 ] [ -2.531439060864e-14 1.105501868352e-14 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }