{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2723706 -0.2440849 -2.4254549 ] [ 1.726265 1.9820644 -1.3095913 ] [ -2.7226329 -0.6975359 -0.6272231 ] [ -0.3563356 -0.8522387 -0.0601945 ] [ 2.732872 -0.7610726 1.7705293 ] [ -1.5218599 0.5177777 1.7714451 ] [ 0.414062 0.0550899 0.8804894 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.363858075132685e-10 -3.910671202703059e-10 -3.886007135584802e-09 ] [ 2.765781424305312e-09 3.17561724259998e-09 -2.098196563663079e-09 ] [ -4.362138779400905e-09 -1.117575711148687e-09 -1.004922186845701e-09 ] [ -5.709125674787405e-10 -1.365436920480985e-09 -9.64422206007456e-11 ] [ 4.378543626038938e-09 -1.21937272645147e-09 2.836700650901389e-09 ] [ -2.438288351913026e-09 8.295713257115962e-10 2.838167924250718e-09 ] [ 6.634004559616896e-10 8.826374982220992e-11 1.41069953154222e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.986183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.920398217523041e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5677378 1.7514387 2.5091569 ] [ 2.4609485 4.5811938 3.8940402 ] [ 0.9107495 3.2600695 2.8863777 ] [ 3.9477627 2.8938771 1.10241 ] [ 3.7364007 2.690454 4.268173 ] [ 3.8653963 5.0759137 2.1702826 ] [ 5.4701196 3.3990431 2.9540427 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5677378e-10 1.7514387e-10 2.5091569e-10 ] [ 2.4609485e-10 4.5811938e-10 3.8940402e-10 ] [ 9.107495e-11 3.2600695e-10 2.8863777e-10 ] [ 3.9477627e-10 2.8938771e-10 1.10241e-10 ] [ 3.7364007e-10 2.690454e-10 4.268173e-10 ] [ 3.8653963e-10 5.0759137e-10 2.1702826e-10 ] [ 5.4701196e-10 3.3990431e-10 2.9540427e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -7e-06 6.3e-06 ] [ -2.75e-05 6.5e-06 1.39e-05 ] [ 4.04e-05 -2.4e-06 1.1e-06 ] [ -3e-06 -9.1e-06 -5.1e-06 ] [ -1.66e-05 1.97e-05 -1.93e-05 ] [ 1.71e-05 -7.8e-06 2.16e-05 ] [ -1.03e-05 0.0 -1.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -1.12152363456e-14 1.009371271104e-14 ] [ -4.4059857072e-14 1.04141480352e-14 2.227025502912e-14 ] [ 6.472793548032e-14 -3.84522388992e-15 1.76239428288e-15 ] [ -4.8065298624e-15 -1.457980724928e-14 -8.17110076608e-15 ] [ -2.659613190528e-14 3.156287942976e-14 -3.092200878144e-14 ] [ 2.739722021568e-14 -1.249697764224e-14 3.460701500928e-14 ] [ -1.650241919424e-14 0.0 -2.948004982272e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.4213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.310546970154304e-18 } }