{ "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" [ [ -5.7132684 -0.5209243 -4.4932445 ] [ -2.887364 -4.1694367 3.2431915 ] [ 2.6413087 1.6202522 -3.2588011 ] [ 0.4354525 -0.5307909 0.2678306 ] [ 5.5238712 3.6008998 4.2410235 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.153665058835421e-09 -8.346127346666055e-10 -7.198971289438187e-09 ] [ -4.62606709653957e-09 -6.680174002645503e-09 5.196165598077284e-09 ] [ 4.231843047455642e-09 2.595930194639766e-09 -5.221174934257323e-09 ] [ 6.97671814968912e-10 -8.504207705133907e-10 4.291119256548364e-10 ] [ 8.850217292950442e-09 5.769277473403396e-09 6.794868699963389e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.9611933 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.142178054129601e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7241599 1.7001234 1.7711482 ] [ 1.9112279 0.4056861 3.7395139 ] [ 3.6426558 3.0711004 1.6135997 ] [ 3.945345 0.9766463 4.7984744 ] [ 5.0154055 2.6239946 3.4846098 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7241599e-10 1.7001234e-10 1.7711482e-10 ] [ 1.9112279e-10 4.056861e-11 3.7395139e-10 ] [ 3.6426558e-10 3.0711004e-10 1.6135997e-10 ] [ 3.945345e-10 9.766463e-11 4.7984744e-10 ] [ 5.0154055e-10 2.6239946e-10 3.4846098e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 3e-07 -3.2e-06 ] [ -3.3e-06 -4e-06 1.1e-06 ] [ -1.4e-06 3.8e-06 -4.7e-06 ] [ 1.6e-06 -4e-07 4.6e-06 ] [ 5.9e-06 3e-07 2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-15 4.8065298624e-16 -5.126965186560001e-15 ] [ -5.28718284864e-15 -6.4087064832e-15 1.76239428288e-15 ] [ -2.24304726912e-15 6.08827115904e-15 -7.53023011776e-15 ] [ 2.56348259328e-15 -6.408706483200001e-16 7.370012455680001e-15 ] [ 9.45284206272e-15 4.8065298624e-16 3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }