{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6903187 -4.5887919 -13.7203597 ] [ -8.0323791 3.3846896 -2.4860399 ] [ -2.2216041 -5.5293953 11.6932014 ] [ 0.4845392 6.6337514 4.3039086 ] [ 3.8625053 -3.366814 2.1216558 ] [ 5.5458568 1.2635933 -2.9276804 ] [ -2.3292368 2.202967 1.0153142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.31036572364105e-09 -7.352055099896412e-09 -2.19824395403065e-08 ] [ -1.286929000342255e-08 5.422870545784904e-09 -3.983075006155971e-09 ] [ -3.559402149693425e-09 -8.859067876821402e-09 1.873457390538583e-08 ] [ 7.763173781011354e-10 1.062844140127927e-08 6.895621736980058e-09 ] [ 6.188415689376091e-09 -5.394230677382132e-09 3.399267320144721e-09 ] [ 8.885442107264702e-09 2.024499643459521e-09 -4.690661090054392e-09 ] [ -3.731848745267005e-09 3.529542223793914e-09 1.626712674006255e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6479562 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.385555324134241e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6448479 1.5665243 0.3600899 ] [ 1.0055633 2.7233356 1.8713475 ] [ 1.7297417 1.4833484 3.8220698 ] [ 2.6675857 4.4786724 2.4721156 ] [ 4.0347581 1.2164931 3.057553 ] [ 4.3848346 3.0702933 1.505242 ] [ 2.9821686 3.5160017 4.7707362 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6448479e-10 1.5665243e-10 3.600899000000001e-11 ] [ 1.0055633e-10 2.7233356e-10 1.8713475e-10 ] [ 1.7297417e-10 1.4833484e-10 3.8220698e-10 ] [ 2.6675857e-10 4.4786724e-10 2.4721156e-10 ] [ 4.0347581e-10 1.2164931e-10 3.057553e-10 ] [ 4.3848346e-10 3.0702933e-10 1.505242e-10 ] [ 2.9821686e-10 3.5160017e-10 4.7707362e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.4e-06 2.33e-05 -9.5e-06 ] [ -4.7e-06 -4e-06 -7.8e-06 ] [ -3.74e-05 -1.01e-05 -4.2e-06 ] [ 9.3e-06 -1.05e-05 4.8e-06 ] [ 3.28e-05 3.63e-05 2.65e-05 ] [ -3.07e-05 -3.1e-05 -1.1e-05 ] [ 2.24e-05 -3.9e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.345828361472e-14 3.733071526464e-14 -1.52206778976e-14 ] [ -7.53023011776e-15 -6.4087064832e-15 -1.249697764224e-14 ] [ -5.992140561792e-14 -1.618198387008e-14 -6.72914180736e-15 ] [ 1.490024257344e-14 -1.68228545184e-14 7.69044777984e-15 ] [ 5.255139316223999e-14 5.815901133504e-14 4.24576804512e-14 ] [ -4.918682225856e-14 -4.96674752448e-14 -1.76239428288e-14 ] [ 3.588875630592e-14 -6.24848882112e-15 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.9983780561006e-18 } }