{ "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" [ [ 0.9320143 3.012582 2.150962 ] [ 2.172573 2.316103 4.293659 ] [ 2.198257 4.51425 3.345177 ] [ 3.106694 2.5483 1.973249 ] [ 3.92193 5.175884 1.747773 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.320143e-11 3.012582e-10 2.150962e-10 ] [ 2.172573e-10 2.316103e-10 4.293659e-10 ] [ 2.198257e-10 4.51425e-10 3.345177e-10 ] [ 3.106694e-10 2.5483e-10 1.973249e-10 ] [ 3.92193e-10 5.175884e-10 1.747773e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.456929 -0.7705262 -0.2925147 ] [ -0.0097665 -0.574848 -0.2772464 ] [ 1.0306488 2.2629133 0.4111634 ] [ 4.2496786 4.6009851 -0.6562725 ] [ -1.8136319 -5.5185241 0.8148702 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.538610823565524e-09 -1.234519063353865e-09 -4.686602135803258e-10 ] [ -1.56476579670432e-11 -9.210080261136384e-10 -4.441977002809651e-10 ] [ 1.651281411615575e-09 3.625586784157377e-09 6.587563868086387e-10 ] [ 6.808735698834076e-09 7.371590759869151e-09 -1.051464456373968e-09 ] [ -2.905758628917084e-09 -8.84165029434136e-09 1.30556598342662e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.179915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.951437505633123e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8750007 2.9833513 2.2189893 ] [ 2.3578191 2.4646623 4.0932093 ] [ 2.0171157 4.7791191 3.4078279 ] [ 3.2409525 2.5500413 1.8226728 ] [ 3.8405803 4.7899449 1.9681206 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.750007e-11 2.9833513e-10 2.2189893e-10 ] [ 2.3578191e-10 2.4646623e-10 4.0932093e-10 ] [ 2.0171157e-10 4.7791191e-10 3.4078279e-10 ] [ 3.2409525e-10 2.5500413e-10 1.8226728e-10 ] [ 3.8405803e-10 4.789944900000001e-10 1.9681206e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.68e-05 -1.81e-05 2.63e-05 ] [ -6e-07 2.1e-06 -2.6e-05 ] [ 9.9e-06 -9e-06 -3.83e-05 ] [ -4.49e-05 -7.7e-06 1.13e-05 ] [ 1.89e-05 3.27e-05 2.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.691656722944e-14 -2.899939683648e-14 4.213724512704e-14 ] [ -9.6130597248e-16 3.36457090368e-15 -4.16565921408e-14 ] [ 1.586154854592e-14 -1.44195895872e-14 -6.136336457664001e-14 ] [ -7.193773027392e-14 -1.233675998016e-14 1.810459581504e-14 ] [ 3.028113813312e-14 5.239117550016001e-14 4.277811577536e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.004913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.243834418493799e-18 } }