{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6742286 0.3308233 -0.4142404 ] [ -1.2609082 1.2523629 0.6313545 ] [ 1.0116948 -0.7943723 -0.0929876 ] [ 1.5441371 -0.2965668 5.2185478 ] [ -0.5510288 0.5145053 0.6626316 ] [ 2.3405872 -0.6929821 -6.4451447 ] [ -0.4102536 -0.3137704 0.4398387 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.284586541594716e-09 5.300373568759047e-10 -6.636862842708403e-10 ] [ -2.020197639015011e-09 2.006506559137289e-09 1.011541419336874e-09 ] [ 1.620913755944932e-09 -1.272724727271124e-09 -1.489825587443021e-10 ] [ 2.473980360929912e-09 -4.751523934654695e-10 8.361035279687274e-09 ] [ -8.82845460747479e-10 8.243283629376903e-10 1.061652857723297e-09 ] [ 3.750034090783734e-09 -1.110279719252888e-09 -1.032626015601303e-08 ] [ -6.572987265190348e-10 -5.027155991790643e-10 7.04699282063065e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.769458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.327634003428753e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0668609 2.7615478 1.2783539 ] [ 2.3665136 2.803315 3.761399 ] [ 3.5788959 1.1431133 2.3830585 ] [ 4.8804913 2.9546748 3.4554669 ] [ 3.2065509 4.9019219 1.1829735 ] [ 4.580842 2.9129079 0.9724235 ] [ 3.4876124 4.9411003 3.5119837 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0668609e-10 2.7615478e-10 1.2783539e-10 ] [ 2.3665136e-10 2.803315e-10 3.761399e-10 ] [ 3.5788959e-10 1.1431133e-10 2.3830585e-10 ] [ 4.8804913e-10 2.9546748e-10 3.4554669e-10 ] [ 3.2065509e-10 4.9019219e-10 1.1829735e-10 ] [ 4.580842e-10 2.9129079e-10 9.724235e-11 ] [ 3.4876124e-10 4.9411003e-10 3.5119837e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 1.11e-05 1.1e-06 ] [ 7e-07 6.6e-06 -1.03e-05 ] [ 7.3e-06 4.5e-06 1.04e-05 ] [ 6e-07 -1.5e-06 4e-07 ] [ -6.5e-06 1.1e-06 1.3e-06 ] [ -5.5e-06 -6.6e-06 -3.5e-06 ] [ -2.7e-06 -1.52e-05 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.77327738688e-15 1.778416049088e-14 1.76239428288e-15 ] [ 1.12152363456e-15 1.057436569728e-14 -1.650241919424e-14 ] [ 1.169588933184e-14 7.2097947936e-15 1.666263685632e-14 ] [ 9.6130597248e-16 -2.4032649312e-15 6.408706483200001e-16 ] [ -1.04141480352e-14 1.76239428288e-15 2.08282960704e-15 ] [ -8.8119714144e-15 -1.057436569728e-14 -5.6076181728e-15 ] [ -4.32587687616e-15 -2.435308463616e-14 6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -22.563325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615043180251216e-18 } }