{ "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" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6835577 -1.7359542 2.4407569 ] [ 4.2033318 -0.9262161 -6.0141326 ] [ -22.6713311 14.6229529 10.1177934 ] [ 1.4219683 -3.4860205 -20.7309613 ] [ 17.0751611 -18.0264032 9.463888 ] [ -0.7126878 9.5516411 4.7226556 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.095180174930782e-09 -2.781305256934162e-09 3.910523674454274e-09 ] [ 6.73447999490916e-09 -1.483961793454607e-09 -9.635702725497668e-09 ] [ -3.632347695009751e-08 2.342855345646254e-08 1.621049217311942e-08 ] [ 2.278244384548702e-09 -5.585220590744996e-09 -3.321466179521826e-08 ] [ 2.735742413620573e-08 -2.888148200210283e-08 1.516282022039299e-08 ] [ -1.141851740496865e-09 1.530341618677406e-08 7.566528452749251e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 6.7785149 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.086037818600085e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4081 -0.589985 0.2992439 ] [ -0.0327888 -0.463068 2.3538485 ] [ 0.4985061 1.9579871 2.5803921 ] [ 1.943534 1.8306235 0.5207847 ] [ 2.4260221 0.3030034 2.4944158 ] [ 2.9138706 2.7864801 2.6831386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4081e-10 -5.89985e-11 2.992439e-11 ] [ -3.27888e-12 -4.63068e-11 2.3538485e-10 ] [ 4.985061e-11 1.9579871e-10 2.5803921e-10 ] [ 1.943534e-10 1.8306235e-10 5.207847e-11 ] [ 2.4260221e-10 3.030034e-11 2.4944158e-10 ] [ 2.9138706e-10 2.7864801e-10 2.6831386e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.96e-05 9.48e-05 -0.0001066 ] [ -2.68e-05 4.8e-06 -1.49e-05 ] [ -3.23e-05 4.71e-05 6.61e-05 ] [ -6.37e-05 -0.0001681 -1.1e-06 ] [ 2.28e-05 -5.02e-05 8.62e-05 ] [ 4.05e-05 7.16e-05 -2.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.54897273864e-14 1.518863449032e-13 -1.707920291844e-13 ] [ -4.293833379119999e-14 7.690447843199998e-15 -2.38724318466e-14 ] [ -5.17503052782e-14 7.546251946139999e-14 1.059038755074e-13 ] [ -1.020586515858e-13 -2.693258921753999e-13 -1.7623942974e-15 ] [ 3.65296272552e-14 -8.04292670268e-14 1.381076258508e-13 ] [ 6.4888153677e-14 1.147158469944e-13 -4.75846460298e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.556334 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.453705464949975e-18 } }