{ "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" [ [ 2.274506 0.3236661 2.677073 ] [ 0.5953025 1.868691 3.011541 ] [ 2.644287 1.363154 4.648241 ] [ 2.19861 3.39541 3.518323 ] [ 4.456442 1.578463 3.034766 ] [ 3.361859 3.152961 1.75355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.274506e-10 3.236661e-11 2.677073e-10 ] [ 5.953025e-11 1.868691e-10 3.011541e-10 ] [ 2.644287e-10 1.363154e-10 4.648241e-10 ] [ 2.19861e-10 3.39541e-10 3.518323e-10 ] [ 4.456442e-10 1.578463e-10 3.034766e-10 ] [ 3.361859e-10 3.152961e-10 1.75355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7356315 0.417043 -0.6906806 ] [ 0.40393 -0.7444099 1.0056197 ] [ -0.4733572 1.4276147 -1.6928537 ] [ 0.4765634 -0.7259562 3.382813 ] [ -3.8577133 0.1656547 1.2705067 ] [ 1.7149455 -0.5399463 -3.275405 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.780788211624035e-09 6.681765444682945e-10 -1.106592309760116e-09 ] [ 6.47167202439744e-10 -1.192676138072066e-09 1.61118037275591e-09 ] [ -7.584018391273497e-10 2.287290895850406e-09 -2.712250620574777e-09 ] [ 7.635387378089588e-10 -1.163110051364809e-09 5.41986390113831e-09 ] [ -6.180738059009217e-09 2.654080874656378e-10 2.035576131309759e-09 ] [ 2.747645586046166e-09 -8.65089338347463e-10 -5.247777314651424e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.432104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.594019258415416e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5002895 0.5673275 2.339098 ] [ 0.7608411 1.8870371 3.123466 ] [ 2.4974256 1.3897499 4.5846149 ] [ 2.2733533 3.5294293 3.6847262 ] [ 4.3780698 1.5955323 3.241715 ] [ 3.1210272 2.7132691 1.6698739 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5002895e-10 5.673275e-11 2.339098e-10 ] [ 7.608411e-11 1.8870371e-10 3.123466e-10 ] [ 2.4974256e-10 1.3897499e-10 4.5846149e-10 ] [ 2.2733533e-10 3.5294293e-10 3.6847262e-10 ] [ 4.378069799999999e-10 1.5955323e-10 3.241715e-10 ] [ 3.1210272e-10 2.7132691e-10 1.6698739e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-06 -3.52e-05 -4.67e-05 ] [ -6.88e-05 -9.8e-06 -2.27e-05 ] [ 2.56e-05 -4e-06 6.14e-05 ] [ -3.48e-05 8.68e-05 -1.6e-05 ] [ 7.71e-05 -4.41e-05 -2.81e-05 ] [ 5.5e-06 6.3e-06 5.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012455680001e-15 -5.639661705216e-14 -7.482164819136e-14 ] [ -1.1022975151104e-13 -1.570133088384e-14 -3.636940929216e-14 ] [ 4.101572149248001e-14 -6.4087064832e-15 9.837364451712e-14 ] [ -5.575574640383999e-14 1.3906893068544e-13 -2.56348259328e-14 ] [ 1.2352781746368e-13 -7.065598897728e-14 -4.502116304448e-14 ] [ 8.8119714144e-15 1.009371271104e-14 8.347340194367999e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.007871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.166920287298232e-18 } }