{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.6887406 -17.5000687 5.410356 ] [ -6.7635822 18.777292 -0.7318438 ] [ 0.4330642 -0.6752016 7.114387 ] [ 6.2036926 -4.5464732 -19.9941408 ] [ 12.815566 3.9444516 8.2012416 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.032960353671576e-08 -2.803820093353385e-08 8.668345893405006e-09 ] [ -1.083645327369903e-08 3.008453824433487e-08 -1.172543026437431e-09 ] [ 6.938453365454554e-10 -1.081792217846753e-09 1.139850452272345e-08 ] [ 9.939411246349966e-09 -7.284253068133763e-09 -3.203414494274341e-08 ] [ 2.053280022751937e-08 6.319708135397154e-09 1.313983755305239e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.2479352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.203765843313373e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0432509 0.3009767 2.1242729 ] [ 2.1509041 3.6132974 1.5520372 ] [ 2.5626742 2.238799 3.5561038 ] [ 3.2180568 1.6816379 0.4543362 ] [ 5.113684 1.9688659 2.4735322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0432509e-10 3.009767e-11 2.1242729e-10 ] [ 2.1509041e-10 3.6132974e-10 1.5520372e-10 ] [ 2.5626742e-10 2.238799e-10 3.5561038e-10 ] [ 3.2180568e-10 1.6816379e-10 4.543362e-11 ] [ 5.113684000000001e-10 1.9688659e-10 2.4735322e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.54e-05 3.7e-06 6.1e-06 ] [ 1.74e-05 5.6e-06 4.4e-06 ] [ -2.76e-05 -4.2e-06 -1.38e-05 ] [ -1.27e-05 3e-07 1.73e-05 ] [ -2.5e-06 -5.4e-06 -1.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.069528616832e-14 5.928053496960001e-15 9.77327738688e-15 ] [ 2.787787320192e-14 8.972189076479999e-15 7.04957713152e-15 ] [ -4.422007473408001e-14 -6.72914180736e-15 -2.211003736704e-14 ] [ -2.034764308416e-14 4.8065298624e-16 2.771765553984e-14 ] [ -4.005441552e-15 -8.65175375232e-15 -2.227025502912e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.892431 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.905377491267717e-18 } }