{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.289562 -2.650352 -0.0317402 ] [ -3.2588348 4.1479229 -2.6299472 ] [ 1.1729811 -0.1081637 2.7237244 ] [ -0.3324497 -0.2308229 0.4493488 ] [ 0.5595093 -0.4721188 -0.3164747 ] [ -0.108248 -0.4725517 1.5693541 ] [ -1.3225199 -0.2139138 -1.7642651 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.270459372494308e-09 -4.246332046275167e-09 -5.08534067984868e-11 ] [ -5.221228970626062e-09 6.645705150013518e-09 -4.213639952493724e-09 ] [ 1.879322910543617e-09 -1.732973527869858e-10 4.363887591135669e-09 ] [ -5.326431413203098e-10 -3.698190569721186e-10 7.199361478759391e-10 ] [ 8.964327269656961e-10 -7.564177098321191e-10 -5.070483695921597e-10 ] [ -1.73432416277232e-10 -7.571112920969778e-10 2.514382469492099e-09 ] [ -2.118910481780017e-09 -3.427276920501491e-10 -2.826664319401673e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.037861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.050201605553987e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.078172 1.4694112 1.9694747 ] [ 1.3799101 3.2217314 2.1435761 ] [ 2.1051995 2.0240905 4.0842168 ] [ 2.723907 5.0518411 2.899125 ] [ 5.0214621 2.6811474 2.6635941 ] [ 3.5354868 3.7073909 1.0935054 ] [ 3.8115855 3.6386825 4.4783446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.078172e-10 1.4694112e-10 1.9694747e-10 ] [ 1.3799101e-10 3.2217314e-10 2.1435761e-10 ] [ 2.1051995e-10 2.0240905e-10 4.0842168e-10 ] [ 2.723907e-10 5.0518411e-10 2.899125e-10 ] [ 5.0214621e-10 2.6811474e-10 2.6635941e-10 ] [ 3.5354868e-10 3.7073909e-10 1.0935054e-10 ] [ 3.8115855e-10 3.6386825e-10 4.4783446e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-06 -6e-06 1.3e-05 ] [ -7.5e-06 5.9e-06 2.1e-06 ] [ -1.12e-05 -5.6e-06 -1.1e-05 ] [ -2.69e-05 9.2e-06 -9.4e-06 ] [ 1.28e-05 -2.16e-05 -2.06e-05 ] [ 1.21e-05 9.6e-06 7.6e-06 ] [ 1.55e-05 8.5e-06 1.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883169999999e-15 -9.613059803999999e-15 2.082829624199999e-14 ] [ -1.2016324755e-14 9.452842140600001e-15 3.364570931399999e-15 ] [ -1.79443783008e-14 -8.972189150399999e-15 -1.7623942974e-14 ] [ -4.309855145459999e-14 1.47400250328e-14 -1.50604603596e-14 ] [ 2.05078609152e-14 -3.46070152944e-14 -3.300483866039999e-14 ] [ 1.93863372714e-14 1.53808956864e-14 1.21765424184e-14 ] [ 2.4833737827e-14 1.3618501389e-14 2.93198324022e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }