{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.16357 -4.2960646 -3.7940985 ] [ -4.1588684 -3.0196631 1.5897572 ] [ 2.1090248 1.578479 1.4355265 ] [ -2.1494377 5.1921218 0.8026664 ] [ -0.9025963 0.2129996 -0.1151223 ] [ 3.7151349 0.0913583 -0.9729875 ] [ 0.2231727 0.2407688 1.0542582 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.864244650664256e-09 -6.883054263566504e-09 -6.078815913712349e-09 ] [ -6.663241719463903e-09 -4.838033621512452e-09 2.54707181858847e-09 ] [ 3.379030227247396e-09 2.529002150223763e-09 2.299966996838851e-09 ] [ -3.443778830806124e-09 8.318696160306013e-09 1.286013340381701e-09 ] [ -1.446118689880583e-09 3.412629793597517e-10 -1.844462575927238e-10 ] [ 5.952302279898146e-09 1.463721323760327e-10 -1.55889782483064e-09 ] [ 3.575620823408121e-10 3.85754142378071e-10 1.689107840326691e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.933884 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033542628573919e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.948695 0.8923595 2.2134188 ] [ 0.8700861 0.8784877 4.2494889 ] [ 2.2253943 2.6254496 4.8978873 ] [ 2.4350269 3.1958676 2.592079 ] [ 4.1600477 0.4462592 2.7259967 ] [ 4.7168344 2.8289822 2.5937581 ] [ 4.3714007 1.7700368 4.7764272 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.948695e-10 8.923595e-11 2.2134188e-10 ] [ 8.700861e-11 8.784877e-11 4.2494889e-10 ] [ 2.2253943e-10 2.6254496e-10 4.8978873e-10 ] [ 2.4350269e-10 3.1958676e-10 2.592079e-10 ] [ 4.1600477e-10 4.462592e-11 2.7259967e-10 ] [ 4.7168344e-10 2.8289822e-10 2.5937581e-10 ] [ 4.3714007e-10 1.7700368e-10 4.776427199999999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.2e-06 -3.53e-05 1.6e-06 ] [ -1.04e-05 2e-06 -2.78e-05 ] [ 3.66e-05 1.19e-05 1.19e-05 ] [ 9.9e-06 2.4e-06 9.7e-06 ] [ -7.3e-06 4.87e-05 -1.22e-05 ] [ -2.62e-05 -2.22e-05 -2.77e-05 ] [ -9.7e-06 -7.6e-06 4.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.153567166976e-14 -5.655683471424e-14 2.56348259328e-15 ] [ -1.666263685632e-14 3.2043532416e-15 -4.454051005824e-14 ] [ 5.863966432128e-14 1.906590178752e-14 1.906590178752e-14 ] [ 1.586154854592e-14 3.84522388992e-15 1.554111322176e-14 ] [ -1.169588933184e-14 7.802600143296e-14 -1.954655477376e-14 ] [ -4.197702746496e-14 -3.556832098176e-14 -4.438029239616e-14 ] [ -1.554111322176e-14 -1.217654231808e-14 7.129685962560001e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }