{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7545076 -7.312909 -8.5563174 ] [ 0.5526244 -2.1382196 14.8233343 ] [ -9.971796 7.1210391 -3.3234311 ] [ -0.224115 -3.175018 -3.5965562 ] [ 5.9069603 -1.7254384 3.5067146 ] [ 3.0206952 -0.441088 -6.3877048 ] [ 7.4701386 7.671634 3.5339605 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.082191416173592e-08 -1.171657182983791e-08 -1.370873169842424e-08 ] [ 8.854018937636275e-10 -3.425805453256328e-09 2.374959965776274e-08 ] [ -1.597657841858696e-08 1.140916236182267e-08 -5.324723609259627e-09 ] [ -3.59071813370592e-10 -5.086939610219175e-09 -5.762318259033289e-09 ] [ 9.463993692653754e-09 -2.764457065110559e-09 5.618376147938024e-09 ] [ 4.83968722800278e-09 -7.067008813154303e-10 -1.023423129113194e-08 ] [ 1.196848141905564e-08 1.229131263813439e-08 5.662028891930678e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.31081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.651973872351085e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5551706 1.7909845 2.4090154 ] [ 2.2464758 2.6258818 4.6682988 ] [ 2.0456132 4.3161302 2.7154744 ] [ 3.8932709 1.7074401 1.7552514 ] [ 4.5692725 2.5238931 3.9645153 ] [ 3.85825 3.9792222 0.8956734 ] [ 4.5495361 4.81416 3.1549463 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5551706e-10 1.7909845e-10 2.4090154e-10 ] [ 2.2464758e-10 2.6258818e-10 4.6682988e-10 ] [ 2.0456132e-10 4.3161302e-10 2.7154744e-10 ] [ 3.8932709e-10 1.7074401e-10 1.7552514e-10 ] [ 4.5692725e-10 2.5238931e-10 3.9645153e-10 ] [ 3.85825e-10 3.9792222e-10 8.956734e-11 ] [ 4.5495361e-10 4.81416e-10 3.1549463e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 1.4e-06 -8e-06 ] [ 6.3e-06 3.61e-05 1.48e-05 ] [ 2.95e-05 -3.1e-05 -1.68e-05 ] [ 6.6e-06 1.32e-05 -1.76e-05 ] [ -1.15e-05 2.8e-06 4.1e-06 ] [ -3.42e-05 -5e-07 -8.6e-06 ] [ -4.6e-06 -2.2e-05 3.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-14 2.24304726912e-15 -1.28174129664e-14 ] [ 1.009371271104e-14 5.783857601088001e-14 2.371221398784e-14 ] [ 4.72642103136e-14 -4.96674752448e-14 -2.691656722944e-14 ] [ 1.057436569728e-14 2.114873139456e-14 -2.819830852608e-14 ] [ -1.84250311392e-14 4.48609453824e-15 6.568924145279999e-15 ] [ -5.479444043136e-14 -8.010883104e-16 -1.377871893888e-14 ] [ -7.370012455680001e-15 -3.52478856576e-14 5.110943420352001e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.735789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.841586648724181e-18 } }