{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6788974 -2.3322937 -0.5905176 ] [ -2.3735152 1.1954812 1.4893889 ] [ -4.484468 3.0626129 1.8877035 ] [ -2.4579945 -8.1503091 -4.4108603 ] [ 0.7411118 0.6015385 2.7619538 ] [ 3.1258088 6.1436976 -4.1734102 ] [ 6.1279546 -0.5207275 3.0357419 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.087713551163351e-09 -3.736746469765406e-09 -9.461135006857582e-10 ] [ -3.802790593883836e-09 1.91537204502628e-09 2.386264094518963e-09 ] [ -7.184909845520711e-09 4.906846827366977e-09 3.024434439620018e-09 ] [ -3.938141354400512e-09 -1.305823479989757e-08 -7.06697730849823e-09 ] [ 1.187392009141681e-09 9.63770929151409e-10 4.425137842547509e-09 ] [ 5.008097821711578e-09 9.843288741081877e-09 -6.686540306537267e-09 ] [ 9.818065674332814e-09 -8.342974331812348e-10 4.863794739034764e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.162512 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.07017289751446e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.242771 0.5976692 3.7358308 ] [ 1.5111286 3.0756767 4.0599994 ] [ 1.6781602 4.966017 2.6468954 ] [ 3.2158464 2.4647882 2.2889888 ] [ 3.769554 2.3434635 4.8208685 ] [ 3.9547023 4.9388604 2.0761735 ] [ 5.4023226 3.4394997 3.3775654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.242771e-10 5.976692000000001e-11 3.7358308e-10 ] [ 1.5111286e-10 3.0756767e-10 4.0599994e-10 ] [ 1.6781602e-10 4.966017e-10 2.6468954e-10 ] [ 3.2158464e-10 2.4647882e-10 2.2889888e-10 ] [ 3.769554e-10 2.3434635e-10 4.8208685e-10 ] [ 3.9547023e-10 4.938860400000001e-10 2.0761735e-10 ] [ 5.4023226e-10 3.4394997e-10 3.3775654e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-06 2.48e-05 -1.15e-05 ] [ -2.01e-05 6e-07 -1.03e-05 ] [ -1.8e-06 -6.38e-05 1.57e-05 ] [ -3.8e-06 2.96e-05 5.18e-05 ] [ -1.46e-05 -9.3e-06 -1e-07 ] [ 5.7e-05 -7.4e-06 6.5e-06 ] [ -1.37e-05 2.55e-05 -5.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.806529901999999e-15 3.97339805232e-14 -1.8425031291e-14 ] [ -3.22037503434e-14 9.613059803999998e-16 -1.65024193302e-14 ] [ -2.8839179412e-15 -1.022188692492e-13 2.515417315379999e-14 ] [ -6.088271209199999e-15 4.74244283664e-14 8.299274964119999e-14 ] [ -2.33917788564e-14 -1.49002426962e-14 -1.602176634e-16 ] [ 9.132406813799999e-14 -1.18561070916e-14 1.0414148121e-14 ] [ -2.19498198858e-14 4.0855504167e-14 -8.36336202948e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.282736 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.730305559479062e-18 } }