{ "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" [ [ 2.114 2.095272 1.915779 ] [ 2.14246 0.9228837 3.956719 ] [ 3.791491 3.03012 0.940196 ] [ 4.524648 0.3016751 5.057567 ] [ 3.666195 2.4276 3.537085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.114e-10 2.095272e-10 1.915779e-10 ] [ 2.14246e-10 9.228837e-11 3.956719e-10 ] [ 3.791491000000001e-10 3.03012e-10 9.40196e-11 ] [ 4.524648e-10 3.016751e-11 5.057567e-10 ] [ 3.666195e-10 2.4276e-10 3.537085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7796766 -0.9068861 -4.6023378 ] [ -2.8012617 -4.9913352 3.8391951 ] [ 3.3157364 1.8732112 -3.115672 ] [ -0.4658549 0.2428887 -0.472858 ] [ 6.7310567 3.7821214 4.3516727 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.086223934510483e-08 -1.452991707148491e-09 -7.373758024184107e-09 ] [ -4.488116004482464e-09 -7.997000564016092e-09 6.151068631909919e-09 ] [ 5.312395340815557e-09 3.001215190460713e-09 -4.991856836481178e-09 ] [ -7.46381829465122e-10 3.89150596596505e-10 -7.576020325582464e-10 ] [ 1.07843416780192e-08 6.059626484107365e-09 6.972148261313612e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1610305 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.871059027135735e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7256733 1.6960781 1.7844872 ] [ 1.9187913 0.4172397 3.7487984 ] [ 3.6360246 3.0570489 1.6125613 ] [ 3.9484974 0.9878475 4.7908827 ] [ 5.0098073 2.6193366 3.4706163 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7256733e-10 1.6960781e-10 1.7844872e-10 ] [ 1.9187913e-10 4.172397e-11 3.7487984e-10 ] [ 3.6360246e-10 3.0570489e-10 1.6125613e-10 ] [ 3.9484974e-10 9.878475000000001e-11 4.7908827e-10 ] [ 5.0098073e-10 2.6193366e-10 3.4706163e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 4e-07 -3e-07 ] [ 4.1e-06 5.9e-06 -4.5e-06 ] [ -3.5e-06 -2.4e-06 2e-07 ] [ 3e-07 -4.8e-06 6.9e-06 ] [ -1.1e-06 9e-07 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-16 6.408706483200001e-16 -4.8065298624e-16 ] [ 6.568924145279999e-15 9.45284206272e-15 -7.2097947936e-15 ] [ -5.6076181728e-15 -3.84522388992e-15 3.2043532416e-16 ] [ 4.8065298624e-16 -7.69044777984e-15 1.105501868352e-14 ] [ -1.76239428288e-15 1.44195895872e-15 -3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.837104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736295466597816e-18 } }