{ "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" [ [ 1.246824 2.123997 2.925379 ] [ 0.6864707 2.951046 4.893167 ] [ 1.520727 4.392498 3.389756 ] [ 3.328529 2.438693 3.945927 ] [ 4.586805 5.929425 1.979745 ] [ 3.302402 3.850709 2.051486 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.246824e-10 2.123997e-10 2.925379e-10 ] [ 6.864707e-11 2.951046e-10 4.893167e-10 ] [ 1.520727e-10 4.392498e-10 3.389756e-10 ] [ 3.328529e-10 2.438693e-10 3.945927e-10 ] [ 4.586805e-10 5.929425e-10 1.979745e-10 ] [ 3.302402e-10 3.850709e-10 2.051486e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.143528 -3.9071422 -4.0438608 ] [ -0.7262512 -0.9047318 4.2771624 ] [ -0.8243143 5.1165579 -0.0332117 ] [ 0.7770792 -0.4367689 2.2489891 ] [ -0.0223145 -0.1814154 0.0512618 ] [ 1.9393289 0.3135004 -2.5003407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.832133826830183e-09 -6.259931886981078e-09 -6.478979231529584e-09 ] [ -1.163582693467945e-09 -1.449540138054301e-09 6.852769600644818e-09 ] [ -1.320697099651118e-09 8.197629446349545e-09 -5.321100927702335e-11 ] [ 1.245018126749967e-09 -6.997809202725332e-10 3.603277756454034e-09 ] [ -3.57517702048416e-11 -2.906595125330804e-10 8.213045750012545e-11 ] [ 3.107147423621781e-09 5.022830114914483e-10 -4.005987413574707e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.60166 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.499661489767053e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3481855 2.1709266 2.5820164 ] [ 0.8235238 2.5551076 4.985302 ] [ 1.3396216 4.5539118 3.5896252 ] [ 3.18911 2.8605912 4.2640749 ] [ 4.810881 5.6557238 1.8357211 ] [ 3.1604357 3.8901071 1.9287204 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3481855e-10 2.1709266e-10 2.5820164e-10 ] [ 8.235238000000001e-11 2.5551076e-10 4.985302e-10 ] [ 1.3396216e-10 4.5539118e-10 3.5896252e-10 ] [ 3.18911e-10 2.8605912e-10 4.2640749e-10 ] [ 4.810881000000001e-10 5.6557238e-10 1.8357211e-10 ] [ 3.1604357e-10 3.8901071e-10 1.9287204e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.8e-06 -1.22e-05 -2.76e-05 ] [ -1.92e-05 -8.4e-06 2.22e-05 ] [ -6.2e-06 2.78e-05 -1.22e-05 ] [ 3.96e-05 -3.8e-06 5e-06 ] [ -7.6e-06 -8.3e-06 -0.0 ] [ -8e-07 5e-06 1.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.292624400640001e-15 -1.954655477376e-14 -4.422007473408001e-14 ] [ -3.076179111936e-14 -1.345828361472e-14 3.556832098176e-14 ] [ -9.93349504896e-15 4.454051005824e-14 -1.954655477376e-14 ] [ 6.344619418368e-14 -6.08827115904e-15 8.010883104e-15 ] [ -1.217654231808e-14 -1.329806595264e-14 0.0 ] [ -1.28174129664e-15 8.010883104e-15 2.034764308416e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.552494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.812219552353227e-18 } }