{ "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" [ [ -14.0347719 -5.3355532 1.2075327 ] [ -10.1538616 -0.3815263 2.6907063 ] [ 11.2248751 2.3546747 -4.893226 ] [ 4.7338285 -2.3682676 2.0687302 ] [ 8.2299298 5.7306724 -1.0737433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24861834164408e-08 -8.548498596074626e-09 1.9346806607915e-09 ] [ -1.626827966635888e-08 -6.11272518080327e-10 4.310986727299271e-09 ] [ 1.798423245662006e-08 3.772604753929253e-09 -7.839812297490702e-09 ] [ 7.584429349576734e-09 -3.794382980518126e-09 3.314471161182908e-09 ] [ 1.318580111638522e-08 9.181549340743826e-09 -1.720326412000641e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7206071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397195281480249e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0846897 0.7256185 0.6235145 ] [ 0.6360384 1.7910536 2.6413702 ] [ 2.4164627 0.8293544 0.3725712 ] [ 2.8254638 0.7165741 2.7781496 ] [ 2.6134515 2.8714929 1.6983422 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.468970000000001e-12 7.256185000000001e-11 6.235145e-11 ] [ 6.360384e-11 1.7910536e-10 2.6413702e-10 ] [ 2.4164627e-10 8.293544e-11 3.725712e-11 ] [ 2.8254638e-10 7.165741e-11 2.7781496e-10 ] [ 2.6134515e-10 2.8714929e-10 1.6983422e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-05 2.34e-05 -2.33e-05 ] [ -1.13e-05 0.0 2.22e-05 ] [ -2.21e-05 -3.02e-05 -5.2e-06 ] [ 2.34e-05 2.04e-05 -2e-07 ] [ -1.6e-05 -1.36e-05 6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-14 3.749093292672001e-14 -3.733071526464e-14 ] [ -1.810459581504e-14 0.0 3.556832098176e-14 ] [ -3.540810331968e-14 -4.838573394816e-14 -8.33131842816e-15 ] [ 3.749093292672001e-14 3.268440306432e-14 -3.2043532416e-16 ] [ -2.56348259328e-14 -2.178960204288e-14 1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.226263 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.279298597995207e-18 } }