{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.4718 1.858527 2.216013 ] [ 2.961187 3.9638 1.175243 ] [ 2.62986 4.035161 3.548452 ] [ 4.200659 2.412747 0.4103634 ] [ 4.64949 3.303863 2.581344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4718e-10 1.858527e-10 2.216013e-10 ] [ 2.961187e-10 3.9638e-10 1.175243e-10 ] [ 2.62986e-10 4.035161000000001e-10 3.548452e-10 ] [ 4.200659e-10 2.412747e-10 4.103634e-11 ] [ 4.64949e-10 3.303863e-10 2.581344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4723337 -3.0872044 1.0965164 ] [ -6.0482281 8.0587712 -2.9066665 ] [ -2.2013213 1.2561332 3.0694877 ] [ 3.9147503 -5.4761073 -4.6661551 ] [ 5.8071328 -0.7515928 3.4068174 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.358938632155961e-09 -4.946246713310891e-09 1.756812940403781e-09 ] [ -9.690329659085606e-09 1.291157480901636e-08 -4.656993110762564e-09 ] [ -3.526905521729063e-09 2.012547245650691e-09 4.917861430773165e-09 ] [ 6.272121406929786e-09 -8.773691089052212e-09 -7.476004610246687e-09 ] [ 9.304052406040842e-09 -1.20418441252161e-09 5.458323189614642e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9727879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.117163775517713e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0266665 1.8756219 1.9550976 ] [ 2.8189058 4.2386627 1.080929 ] [ 2.7767838 3.6148412 3.6470262 ] [ 4.2702662 2.0528661 0.7782254 ] [ 5.0203735 3.7921061 2.4701372 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0266665e-10 1.8756219e-10 1.9550976e-10 ] [ 2.8189058e-10 4.2386627e-10 1.080929e-10 ] [ 2.7767838e-10 3.6148412e-10 3.6470262e-10 ] [ 4.2702662e-10 2.0528661e-10 7.782254e-11 ] [ 5.0203735e-10 3.7921061e-10 2.4701372e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 -5.4e-06 3.9e-06 ] [ -3.4e-06 3.4e-06 -4.5e-06 ] [ -2.8e-06 8e-06 2.8e-06 ] [ 2e-07 8e-07 -9.2e-06 ] [ 1.5e-06 -6.8e-06 6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.2097947936e-15 -8.65175375232e-15 6.24848882112e-15 ] [ -5.44740051072e-15 5.44740051072e-15 -7.2097947936e-15 ] [ -4.48609453824e-15 1.28174129664e-14 4.48609453824e-15 ] [ 3.2043532416e-16 1.28174129664e-15 -1.474002491136e-14 ] [ 2.4032649312e-15 -1.089480102144e-14 1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.338031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.656335157330565e-18 } }