{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.4420297 -25.2968878 -45.9928387 ] [ -0.4860771 -2.9274733 3.5196455 ] [ -37.8674572 -17.5676209 18.9667167 ] [ -13.9776816 10.6740198 -9.2362136 ] [ 48.5302992 -28.60045 32.5477196 ] [ 16.0441866 45.2209813 -15.967322 ] [ 6.1987598 18.4974309 16.1622925 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.954738882543924e-08 -4.053008221216075e-08 -7.368865088936546e-08 ] [ -7.787813655262637e-10 -4.690329279276225e-09 5.639093733603927e-09 ] [ -6.067035461498463e-08 -2.814643148905746e-08 3.038803007007693e-08 ] [ -2.239471467250634e-08 1.710166497351629e-08 -1.4798045494635e-08 ] [ 7.775411077866894e-08 -4.582297233435936e-08 5.214719540347392e-08 ] [ 2.570562067027264e-08 7.2451999008494e-08 -2.55824700051855e-08 ] [ 9.931508029514884e-09 2.963615133284351e-08 2.589484718203118e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.727997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.768556394212538e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.9082665 1.3858065 1.0690188 ] [ 1.6945387 2.6028024 5.4886999 ] [ 1.3794641 1.2791748 3.1922263 ] [ 0.683369 3.8203689 3.2801584 ] [ 4.0158876 1.6158197 3.5594333 ] [ 4.2798346 3.5293294 1.6227486 ] [ 3.2160645 4.1494092 3.9337028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9082665e-10 1.3858065e-10 1.0690188e-10 ] [ 1.6945387e-10 2.6028024e-10 5.4886999e-10 ] [ 1.3794641e-10 1.2791748e-10 3.1922263e-10 ] [ 6.83369e-11 3.8203689e-10 3.2801584e-10 ] [ 4.0158876e-10 1.6158197e-10 3.5594333e-10 ] [ 4.2798346e-10 3.5293294e-10 1.6227486e-10 ] [ 3.2160645e-10 4.1494092e-10 3.9337028e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.16e-05 -5.9e-06 2.71e-05 ] [ 1.65e-05 -2.06e-05 1.52e-05 ] [ 1.39e-05 5.54e-05 5.3e-06 ] [ -3.46e-05 2.1e-06 1.71e-05 ] [ -3.07e-05 3.54e-05 -7.54e-05 ] [ 1.93e-05 -5.41e-05 2.86e-05 ] [ -2.6e-05 -1.23e-05 -1.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.665054742528e-14 -9.45284206272e-15 4.341898642368e-14 ] [ 2.64359142432e-14 -3.300483838848e-14 2.435308463616e-14 ] [ 2.227025502912e-14 8.876058479231999e-14 8.491536090240001e-15 ] [ -5.543531107968001e-14 3.36457090368e-15 2.739722021568e-14 ] [ -4.918682225856e-14 5.671705237632e-14 -1.2080411720832e-13 ] [ 3.092200878144e-14 -8.667775518528e-14 4.582225135488e-14 ] [ -4.16565921408e-14 -1.970677243584e-14 -2.851874385024e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.282127 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.890425618269644e-18 } }