{ "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" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3781816 -2.762161 0.7711902 ] [ -7.6664244 1.5031591 4.9001424 ] [ 6.953315 0.0262433 -7.3671702 ] [ 2.4901981 -3.6814289 3.1841286 ] [ 4.601093 4.9141875 -1.4882911 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.021897344273674e-08 -4.425469777085549e-09 1.235582908630076e-09 ] [ -1.228296593881067e-08 2.408326367362769e-09 7.850893591870803e-09 ] [ 1.114043873005795e-08 4.204640171264064e-11 -1.180350785589446e-08 ] [ 3.989737176980581e-09 -5.898299314717461e-09 5.101536400540636e-09 ] [ 7.371763634726534e-09 7.873396322727599e-09 -2.384505205364715e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0923725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.158880163904848e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2869601 0.8300856 0.7527048 ] [ 0.8108561 1.8789938 2.7924014 ] [ 2.6195916 0.894613 0.4531912 ] [ 2.5532705 0.2994704 2.7283693 ] [ 2.305428 3.0309307 1.387281 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.869601e-11 8.300856e-11 7.527048e-11 ] [ 8.108561e-11 1.8789938e-10 2.7924014e-10 ] [ 2.6195916e-10 8.946130000000001e-11 4.531912e-11 ] [ 2.5532705e-10 2.994704e-11 2.7283693e-10 ] [ 2.305428e-10 3.0309307e-10 1.387281e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.2e-06 -4.28e-05 2.05e-05 ] [ 9.8e-06 1.24e-05 -2.39e-05 ] [ -1.95e-05 2.6e-05 4.03e-05 ] [ -2.42e-05 1.06e-05 -5.07e-05 ] [ 2.57e-05 -6.3e-06 1.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.313784829056e-14 -6.857315937023999e-14 3.28446207264e-14 ] [ 1.570133088384e-14 1.986699009792e-14 -3.829202123712e-14 ] [ -3.12424441056e-14 4.16565921408e-14 6.456771781824e-14 ] [ -3.877267422336e-14 1.698307218048e-14 -8.123035467456e-14 ] [ 4.117593915456e-14 -1.009371271104e-14 2.194981970496e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }