{ "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" [ [ 2.638378 0.8784031 3.89936 ] [ 3.076863 3.046669 3.275657 ] [ 5.153788 2.352253 2.384418 ] [ 4.273122 0.1786437 2.239865 ] [ 4.529593 1.652308 4.599133 ] [ 5.775659 4.557099 1.971672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.638378e-10 8.784031e-11 3.89936e-10 ] [ 3.076863e-10 3.046669e-10 3.275657e-10 ] [ 5.153788e-10 2.352253e-10 2.384418e-10 ] [ 4.273122e-10 1.786437e-11 2.239865e-10 ] [ 4.529593e-10 1.652308e-10 4.599133e-10 ] [ 5.775659e-10 4.557099e-10 1.971672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.9789378 -5.9869117 0.946884 ] [ -4.9831357 8.3868786 -2.2215995 ] [ 5.3362754 2.3673133 -4.4741424 ] [ 0.1303386 -5.9403411 -4.808919 ] [ 7.3387573 0.3023183 10.7474057 ] [ 0.1567022 0.8707426 -0.1896288 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.278366760197739e-08 -9.592089956533985e-09 1.517075407409587e-09 ] [ -7.983863516813842e-09 1.343726081440783e-08 -3.55939477968097e-09 ] [ 8.549655688030169e-09 3.792854023368897e-09 -7.168366351410002e-09 ] [ 2.088254577078029e-10 -9.517475629997355e-09 -7.704737593120915e-09 ] [ 1.175798537178533e-08 4.843673123000007e-10 1.721924214679266e-08 ] [ 2.510646012679258e-10 1.395083436454606e-09 -3.038188299903591e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5312207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.366852235242501e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8457224 1.3037885 3.8243418 ] [ 2.6598028 3.4353755 2.7962115 ] [ 5.9910094 1.8606932 2.8246059 ] [ 4.113368 0.6787158 1.8615986 ] [ 4.9478154 1.5566003 4.9758978 ] [ 4.889685 3.8302025 2.0874493 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8457224e-10 1.3037885e-10 3.8243418e-10 ] [ 2.6598028e-10 3.4353755e-10 2.7962115e-10 ] [ 5.991009400000001e-10 1.8606932e-10 2.8246059e-10 ] [ 4.113368000000001e-10 6.787158e-11 1.8615986e-10 ] [ 4.9478154e-10 1.5566003e-10 4.975897800000001e-10 ] [ 4.889685000000001e-10 3.8302025e-10 2.0874493e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 -8.2e-06 5.6e-06 ] [ -1.8e-06 -2.1e-06 -5.1e-06 ] [ 1.15e-05 8.2e-06 1.4e-06 ] [ -1.19e-05 1.23e-05 1.3e-06 ] [ -4.1e-06 -9.7e-06 9.4e-06 ] [ 4.5e-06 -5e-07 -1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.88391791744e-15 -1.313784829056e-14 8.972189076479999e-15 ] [ -2.88391791744e-15 -3.36457090368e-15 -8.17110076608e-15 ] [ 1.84250311392e-14 1.313784829056e-14 2.24304726912e-15 ] [ -1.906590178752e-14 1.970677243584e-14 2.08282960704e-15 ] [ -6.568924145279999e-15 -1.554111322176e-14 1.506046023552e-14 ] [ 7.2097947936e-15 -8.010883104e-16 -2.018742542208e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.112917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.421356228949088e-18 } }