{ "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" [ [ 0.4274107 1.04679 0.754155 ] [ 0.054848 0.4363706 2.670546 ] [ 0.7705138 1.600976 2.469626 ] [ 2.416605 0.1528458 1.19099 ] [ 2.213379 0.2126116 2.884964 ] [ 2.109765 2.603732 2.132719 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.274107e-11 1.04679e-10 7.541550000000001e-11 ] [ 5.4848e-12 4.363706e-11 2.670546e-10 ] [ 7.705138e-11 1.600976e-10 2.469626e-10 ] [ 2.416605e-10 1.528458e-11 1.19099e-10 ] [ 2.213379e-10 2.126116e-11 2.884964e-10 ] [ 2.109765e-10 2.603732e-10 2.132719e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.86011 -2.4386223 -28.8113255 ] [ -60.9881296 -89.5406448 24.1655858 ] [ 23.9470091 83.2212178 8.7051319 ] [ 7.9344618 -4.0229895 -29.6519066 ] [ 9.0587566 -7.5521354 31.3980799 ] [ 24.9080121 20.3331742 -5.8055654 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.786754616516287e-09 -3.907103636021524e-09 -4.616083213035887e-08 ] [ -9.771375539144046e-08 -1.434599277099171e-07 3.871753659669646e-08 ] [ 3.836733811810485e-08 1.333350895136648e-07 1.394715881116028e-08 ] [ 1.271240919459069e-08 -6.445539722623883e-09 -4.750759151666522e-08 ] [ 1.45137280380377e-08 -1.209985477499606e-08 5.030526955379041e-08 ] [ 3.990703465722352e-08 3.257733632989375e-08 -9.301541154405401e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 30.736469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.924525203774396e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2358254 0.7177205 0.5902727 ] [ 0.0518851 0.1178258 2.9604048 ] [ 0.280139 2.4693869 2.3051937 ] [ 2.5214332 0.5322095 0.7206912 ] [ 2.3374925 -0.0676876 3.0908257 ] [ 2.5657464 2.2838709 2.4356119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.358254e-11 7.177205e-11 5.902727e-11 ] [ 5.18851e-12 1.178258e-11 2.9604048e-10 ] [ 2.80139e-11 2.4693869e-10 2.3051937e-10 ] [ 2.5214332e-10 5.322095e-11 7.206912e-11 ] [ 2.3374925e-10 -6.76876e-12 3.0908257e-10 ] [ 2.5657464e-10 2.2838709e-10 2.4356119e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.8e-06 5e-06 -3.3e-06 ] [ -4e-07 3e-06 -3.2e-06 ] [ 2.8e-06 -1.47e-05 -7.8e-06 ] [ -8.8e-06 -2e-07 7.9e-06 ] [ 5.5e-06 -6.9e-06 2.8e-06 ] [ 8.8e-06 1.39e-05 3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.249697764224e-14 8.010883104e-15 -5.28718284864e-15 ] [ -6.408706483200001e-16 4.8065298624e-15 -5.126965186560001e-15 ] [ 4.48609453824e-15 -2.355199632576e-14 -1.249697764224e-14 ] [ -1.409915426304e-14 -3.2043532416e-16 1.265719530432e-14 ] [ 8.8119714144e-15 -1.105501868352e-14 4.48609453824e-15 ] [ 1.409915426304e-14 2.227025502912e-14 5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.293256 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.930902708150933e-18 } }