{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.6704224 -7.2238719 -8.6573751 ] [ 2.5627754 -0.3511606 12.6962828 ] [ -8.88986 6.0915348 -2.5490258 ] [ -0.9428188 -2.4620533 -2.4760819 ] [ 4.8322709 -0.7638227 3.1306338 ] [ 3.1623193 -0.4234812 -6.0311344 ] [ 5.9457357 5.1328549 3.8867006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.06871949081902e-08 -1.157391876518918e-08 -1.387064409699341e-08 ] [ 4.106018864070003e-09 -5.626213081014203e-10 2.034168764081609e-08 ] [ -1.424312597153124e-08 9.759714721757862e-09 -4.083989576223157e-09 ] [ -1.510562251455919e-09 -3.944644268922592e-09 -3.967120564050324e-09 ] [ 7.742151525138149e-09 -1.223778882458792e-09 5.015828323970629e-09 ] [ 5.066594091707236e-09 -6.784916835782808e-10 -9.662942612193609e-09 ] [ 9.526118810479632e-09 8.223740186492405e-09 6.227180884673781e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.477381 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.678661502371555e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0564706 2.0938318 2.3875558 ] [ 2.0208334 2.2266373 4.8005894 ] [ 2.8523851 4.238269 1.8157547 ] [ 4.1244545 0.9114095 2.7961689 ] [ 4.4134216 2.5000288 4.5946205 ] [ 2.7016078 5.2569797 -0.2354251 ] [ 4.5484161 4.5305559 3.4039107 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0564706e-10 2.0938318e-10 2.3875558e-10 ] [ 2.0208334e-10 2.2266373e-10 4.8005894e-10 ] [ 2.8523851e-10 4.238269e-10 1.8157547e-10 ] [ 4.1244545e-10 9.114095e-11 2.7961689e-10 ] [ 4.413421600000001e-10 2.5000288e-10 4.594620500000001e-10 ] [ 2.7016078e-10 5.2569797e-10 -2.354251e-11 ] [ 4.5484161e-10 4.5305559e-10 3.4039107e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 -6.1e-06 -4.1e-06 ] [ -3e-07 -1e-07 1.22e-05 ] [ 8.6e-06 4.6e-06 7.1e-06 ] [ -3.9e-06 -1.45e-05 -2.3e-06 ] [ 7.4e-06 1.29e-05 -7.7e-06 ] [ 5.9e-06 5.9e-06 -3.4e-06 ] [ -1.78e-05 -2.6e-06 -1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-16 -9.773277467399999e-15 -6.568924199399999e-15 ] [ -4.806529901999999e-16 -1.602176634e-16 1.95465549348e-14 ] [ 1.37787190524e-14 7.370012516399999e-15 1.13754541014e-14 ] [ -6.248488872599999e-15 -2.3231561193e-14 -3.685006258199999e-15 ] [ 1.18561070916e-14 2.06680785786e-14 -1.23367600818e-14 ] [ 9.452842140600001e-15 9.452842140600001e-15 -5.4474005556e-15 ] [ -2.851874408519999e-14 -4.165659248399999e-15 -3.0441356046e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.490038 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.802213021137209e-18 } }