{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0901208 -4.2988118 -6.6741927 ] [ -14.777847 3.5533244 1.6674047 ] [ -15.0208439 -12.1200353 8.1206467 ] [ -0.6436305 -0.263216 0.195 ] [ 10.3897301 -3.2702998 -1.0732142 ] [ 11.5781767 3.7718145 -6.4506341 ] [ 8.3842938 12.627224 4.2149897 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.443894388077926e-10 -6.887455763179166e-09 -1.069323550665403e-08 ] [ -2.367672096915942e-08 5.693053279798188e-09 2.671476827752038e-09 ] [ -2.406604492126629e-08 -1.941843720093071e-08 1.301071028851667e-08 ] [ -1.031209739533814e-09 -4.217185214204929e-10 3.12424441056e-10 ] [ 1.664618266264204e-08 -5.239597882566916e-09 -1.719478700350575e-09 ] [ 1.85502840202313e-08 6.043113009894442e-09 -1.033505514435525e-08 ] [ 1.343311950827839e-08 2.023104307840466e-08 6.753157954252806e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.875609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.543552958076207e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.033609 2.5770012 0.9636382 ] [ 1.6516713 5.0156356 1.8393025 ] [ 2.1435563 2.9371706 3.5555053 ] [ 4.508379 3.0518792 0.8294287 ] [ 4.7488533 2.7944705 3.3282166 ] [ 4.1012848 5.5307835 1.0688512 ] [ 3.7142154 5.1808384 3.6354216 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.033609e-10 2.5770012e-10 9.636382e-11 ] [ 1.6516713e-10 5.0156356e-10 1.8393025e-10 ] [ 2.1435563e-10 2.9371706e-10 3.5555053e-10 ] [ 4.508379e-10 3.0518792e-10 8.294287e-11 ] [ 4.748853300000001e-10 2.7944705e-10 3.3282166e-10 ] [ 4.1012848e-10 5.5307835e-10 1.0688512e-10 ] [ 3.7142154e-10 5.1808384e-10 3.6354216e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.88e-05 -1.1e-06 -1.81e-05 ] [ 2.1e-06 2.35e-05 -1.74e-05 ] [ 4.04e-05 -2.49e-05 2.81e-05 ] [ -0.0 -4.7e-06 2.78e-05 ] [ -1.71e-05 4.67e-05 -2.57e-05 ] [ 2.38e-05 -9.6e-06 -8.6e-06 ] [ -2.03e-05 -2.99e-05 1.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.614268667904e-14 -1.76239428288e-15 -2.899939683648e-14 ] [ 3.36457090368e-15 3.76511505888e-14 -2.787787320192e-14 ] [ 6.472793548032e-14 -3.989419785791999e-14 4.502116304448e-14 ] [ 0.0 -7.53023011776e-15 4.454051005824e-14 ] [ -2.739722021568e-14 7.482164819136e-14 -4.117593915456e-14 ] [ 3.813180357504e-14 -1.538089555968e-14 -1.377871893888e-14 ] [ -3.252418540224e-14 -4.790508096192e-14 2.211003736704e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.044153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.852297980353818e-18 } }