{ "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" [ [ 0.349925 1.341612 0.6560134 ] [ 0.6162161 0.8811692 2.732129 ] [ 2.287058 0.0970069 0.7690432 ] [ 2.096073 0.9342159 2.106012 ] [ 2.754629 2.399765 1.157711 ] [ 1.653705 1.889806 0.0543731 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.49925e-11 1.341612e-10 6.560134e-11 ] [ 6.162161e-11 8.811692000000001e-11 2.732129e-10 ] [ 2.287058e-10 9.70069e-12 7.690432000000001e-11 ] [ 2.096073e-10 9.342159e-11 2.106012e-10 ] [ 2.754629e-10 2.399765e-10 1.157711e-10 ] [ 1.653705e-10 1.889806e-10 5.43731e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -54.4400118 -21.2374258 21.1358131 ] [ -40.537292 -2.8694361 18.8881932 ] [ 6.0673379 -29.2153093 -38.2758597 ] [ 33.1336684 13.3472938 36.9734391 ] [ 31.5252457 23.7992819 18.9242803 ] [ 24.2510519 16.1755955 -57.6458659 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.722251414203612e-08 -3.402610710273474e-08 3.386330561041837e-08 ] [ -6.494790151294287e-08 -4.597343434299531e-09 3.026222155419354e-08 ] [ 9.72094693387377e-09 -4.680808552990082e-08 -6.13246875523609e-08 ] [ 5.308598887181974e-08 2.138472207730879e-08 5.92379797165926e-08 ] [ 5.050901162551573e-08 3.81306530520086e-08 3.032003946212601e-08 ] [ 3.885446838398742e-08 2.591616093761769e-08 -9.235885863075195e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 24.310249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.894931259362658e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2085857 0.2721161 0.6984363 ] [ 0.6433463 1.9344146 2.301394 ] [ 2.5232488 0.3416149 0.2994179 ] [ 2.3734726 0.3816979 2.6441307 ] [ 2.8733013 2.3508446 1.5468087 ] [ 1.1356514 2.2628869 -0.0149059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.085857e-11 2.721161e-11 6.984363e-11 ] [ 6.433463000000001e-11 1.9344146e-10 2.301394e-10 ] [ 2.5232488e-10 3.416149e-11 2.994179e-11 ] [ 2.3734726e-10 3.816979e-11 2.6441307e-10 ] [ 2.8733013e-10 2.3508446e-10 1.5468087e-10 ] [ 1.1356514e-10 2.2628869e-10 -1.49059e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.87e-05 -1.43e-05 4e-06 ] [ 1.8e-05 -2.27e-05 1.13e-05 ] [ 3.27e-05 2.16e-05 -6.2e-06 ] [ -7.7e-06 1.86e-05 2.01e-05 ] [ -7.1e-06 -2.04e-05 -1.23e-05 ] [ 1.27e-05 1.74e-05 -1.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.802600143296e-14 -2.291112567744e-14 6.4087064832e-15 ] [ 2.88391791744e-14 -3.636940929216e-14 1.810459581504e-14 ] [ 5.239117550016001e-14 3.460701500928e-14 -9.93349504896e-15 ] [ -1.233675998016e-14 2.980048514688e-14 3.220375007808e-14 ] [ -1.137545400768e-14 -3.268440306432e-14 -1.970677243584e-14 ] [ 2.034764308416e-14 2.787787320192e-14 -2.707678489152e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.223076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.201399929266158e-18 } }