{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2906158 -5.7355915 3.1090875 ] [ -3.6755397 8.1497793 -0.9931984 ] [ 0.2086878 -0.9970944 2.68273 ] [ 2.4651117 -1.986172 -8.375805 ] [ 4.292356 0.5690786 3.5771859 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.272147702795088e-09 -9.189430607759203e-09 4.98130730452152e-09 ] [ -5.888863776162246e-09 1.305738585913979e-08 -1.591279256295967e-09 ] [ 3.343547142061863e-10 -1.597521336410604e-09 4.298207285918784e-09 ] [ 3.949544333400543e-09 -3.182198343287578e-09 -1.341951895137974e-08 ] [ 6.877112431350605e-09 9.117644283175949e-10 5.731283617235406e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.80207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.051117725184506e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2663189 0.6608214 2.1016699 ] [ 2.2937297 3.2291736 1.6770552 ] [ 2.6380352 2.2833916 3.959359 ] [ 3.3973974 1.6380246 0.1047558 ] [ 4.4930887 1.9921657 2.3174423 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2663189e-10 6.608214e-11 2.1016699e-10 ] [ 2.2937297e-10 3.2291736e-10 1.6770552e-10 ] [ 2.6380352e-10 2.2833916e-10 3.959359e-10 ] [ 3.3973974e-10 1.6380246e-10 1.047558e-11 ] [ 4.493088700000001e-10 1.9921657e-10 2.3174423e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-05 2.79e-05 -1.39e-05 ] [ 2.31e-05 -5.31e-05 9.1e-06 ] [ -2.1e-06 2.34e-05 -3.99e-05 ] [ -2.06e-05 3.17e-05 6.11e-05 ] [ -4.44e-05 -2.98e-05 -1.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.04957713152e-14 4.470072772032e-14 -2.227025502912e-14 ] [ 3.701027994048e-14 -8.507557856448001e-14 1.457980724928e-14 ] [ -3.36457090368e-15 3.749093292672001e-14 -6.392684716992e-14 ] [ -3.300483838848e-14 5.078899887936e-14 9.789299153088e-14 ] [ -7.113664196352e-14 -4.774486329984001e-14 -2.64359142432e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }