{ "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" [ [ 1.876204 2.102216 0.9727568 ] [ -1.8361026 -4.9808189 -2.1060829 ] [ -6.0346552 -2.5587903 0.006203 ] [ 4.6563484 4.7404825 0.654252 ] [ -3.8068125 0.9964105 -3.3750381 ] [ 3.1245909 1.6094866 0.5724731 ] [ 2.0204269 -1.9089865 3.275436 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.006010184651443e-09 3.368121327071693e-09 1.558528202684221e-09 ] [ -2.941760659110094e-09 -7.980151594018772e-09 -3.374316783846665e-09 ] [ -9.66858347602915e-09 -4.099633996189819e-09 9.938301578822401e-12 ] [ 7.460292544779486e-09 7.595090232811535e-09 1.048227258511642e-09 ] [ -6.0991859872692e-09 1.596425607819638e-09 -5.407407138129253e-09 ] [ 5.006146489544431e-09 2.578681802010882e-09 9.172030168569004e-10 ] [ 3.23708074321542e-09 -3.058533539722819e-09 5.247826982126669e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.450836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.597020455661499e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1857799 0.7603052 2.0174612 ] [ 1.9483265 2.4416752 3.1627825 ] [ 1.4459538 4.3964708 1.8442071 ] [ 3.273302 4.4308089 3.5085174 ] [ 4.4051029 2.3049249 3.3989736 ] [ 3.4157845 5.7372 1.5227921 ] [ 3.5053414 3.1931796 1.3061716 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1857799e-10 7.603052e-11 2.0174612e-10 ] [ 1.9483265e-10 2.4416752e-10 3.1627825e-10 ] [ 1.4459538e-10 4.3964708e-10 1.8442071e-10 ] [ 3.273302e-10 4.4308089e-10 3.5085174e-10 ] [ 4.4051029e-10 2.3049249e-10 3.3989736e-10 ] [ 3.4157845e-10 5.7372e-10 1.5227921e-10 ] [ 3.5053414e-10 3.1931796e-10 1.3061716e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.24e-05 3.72e-05 4.83e-05 ] [ 6.68e-05 -3.4e-05 -5.33e-05 ] [ -3e-07 1.32e-05 -2.98e-05 ] [ -1.27e-05 -5.04e-05 5.97e-05 ] [ 6e-06 4.68e-05 -7.2e-06 ] [ 4.38e-05 -2.54e-05 -5.9e-06 ] [ -9.12e-05 1.26e-05 -1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.986699009792e-14 5.960097029376001e-14 7.738513078464e-14 ] [ 1.0702539826944e-13 -5.44740051072e-14 -8.539601388864e-14 ] [ -4.8065298624e-16 2.114873139456e-14 -4.774486329984001e-14 ] [ -2.034764308416e-14 -8.074970168832e-14 9.564994426176e-14 ] [ 9.6130597248e-15 7.498186585344001e-14 -1.153567166976e-14 ] [ 7.017533599104001e-14 -4.069528616832e-14 -9.45284206272e-15 ] [ -1.4611850781696e-13 2.018742542208e-14 -1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.889965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.628682649873028e-18 } }