{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.4718 1.858527 2.216013 ] [ 2.961187 3.9638 1.175243 ] [ 2.62986 4.035161 3.548452 ] [ 4.200659 2.412747 0.4103634 ] [ 4.64949 3.303863 2.581344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4718e-10 1.858527e-10 2.216013e-10 ] [ 2.961187e-10 3.9638e-10 1.175243e-10 ] [ 2.62986e-10 4.035161000000001e-10 3.548452e-10 ] [ 4.200659e-10 2.412747e-10 4.103634e-11 ] [ 4.64949e-10 3.303863e-10 2.581344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8655518 -3.7434389 1.0863669 ] [ -3.7801285 5.3237932 -3.4377335 ] [ -1.2544535 0.8813872 2.3961315 ] [ 2.3179743 -2.8524718 -3.3816332 ] [ 5.5821596 0.3907303 3.3368683 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.591120099651358e-09 -5.99765028697327e-09 1.740551648790972e-09 ] [ -6.056433506319773e-09 8.529656999014018e-09 -5.507856242240957e-09 ] [ -2.009856069580733e-09 1.412137965712374e-09 3.839025869662435e-09 ] [ 3.713804231075245e-09 -4.570163629451294e-09 -5.417973653161091e-09 ] [ 8.94360560469428e-09 6.260189516981701e-10 5.346252376948641e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1535667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.859100701273408e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.430426 1.6611592 2.2815078 ] [ 2.7446486 4.3911229 0.9513929 ] [ 2.7296106 3.7945525 3.2271205 ] [ 4.0356137 2.4350969 0.7454554 ] [ 4.9726972 3.2921665 2.7259389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.430426e-10 1.6611592e-10 2.2815078e-10 ] [ 2.7446486e-10 4.3911229e-10 9.513929e-11 ] [ 2.7296106e-10 3.7945525e-10 3.2271205e-10 ] [ 4.0356137e-10 2.4350969e-10 7.454554e-11 ] [ 4.9726972e-10 3.2921665e-10 2.7259389e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.22e-05 -8.2e-06 1.36e-05 ] [ 2.69e-05 2.06e-05 2.23e-05 ] [ -6.2e-06 -1.1e-05 -3.22e-05 ] [ -2.03e-05 -8.5e-06 8.9e-06 ] [ -2.26e-05 7.1e-06 -1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.556832098176e-14 -1.313784829056e-14 2.178960204288e-14 ] [ 4.309855109952001e-14 3.300483838848e-14 3.572853864384e-14 ] [ -9.93349504896e-15 -1.76239428288e-14 -5.159008718975999e-14 ] [ -3.252418540224e-14 -1.36185012768e-14 1.425937192512e-14 ] [ -3.620919163008e-14 1.137545400768e-14 -2.018742542208e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }