{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8129437 -4.042385 0.6378169 ] [ -3.0005516 4.7866338 -3.6583356 ] [ -7.8518088 6.8936184 6.9266864 ] [ 2.7289792 -8.7612833 -5.7559259 ] [ 5.1355849 -6.4873577 6.4870837 ] [ 5.2590444 3.977237 -5.6360864 ] [ 3.5416957 3.6335369 0.9987608 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.31336249416665e-09 -6.476614739272609e-09 1.021895325531132e-09 ] [ -4.807413623024034e-09 7.669032766691063e-09 -5.861299769360341e-09 ] [ -1.25799844903517e-08 1.10447942331967e-08 1.109777500969332e-08 ] [ 4.372306672889487e-09 -1.403712327146547e-08 -9.2220099080372e-09 ] [ 8.228114060913505e-09 -1.039389283770686e-08 1.039345384131276e-08 ] [ 8.425917985429163e-09 6.37223613678073e-09 -9.030005862888839e-09 ] [ 5.674422048527891e-09 5.821567871994108e-09 1.600191203531505e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.2847607 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.262766798462643e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4153354 1.5645201 2.8984149 ] [ 2.0283015 4.5800601 1.2191962 ] [ 1.7223067 3.8614954 3.5219785 ] [ 3.5681343 1.1252046 1.9332157 ] [ 4.7322049 1.5168839 4.0318571 ] [ 4.1659985 3.4243383 1.2307969 ] [ 4.1839567 3.8729397 3.7994926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4153354e-10 1.5645201e-10 2.8984149e-10 ] [ 2.0283015e-10 4.5800601e-10 1.2191962e-10 ] [ 1.7223067e-10 3.8614954e-10 3.5219785e-10 ] [ 3.5681343e-10 1.1252046e-10 1.9332157e-10 ] [ 4.732204900000001e-10 1.5168839e-10 4.0318571e-10 ] [ 4.1659985e-10 3.4243383e-10 1.2307969e-10 ] [ 4.183956700000001e-10 3.8729397e-10 3.7994926e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.99e-05 -1.42e-05 4.7e-06 ] [ -1.7e-06 -2.1e-05 -2.2e-06 ] [ 2.01e-05 2.17e-05 8.1e-06 ] [ 8.5e-06 2.5e-05 -1e-07 ] [ 1.7e-06 2.61e-05 -3.09e-05 ] [ 2.19e-05 -9.6e-06 3.47e-05 ] [ -2.07e-05 -2.79e-05 -1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.790508096192e-14 -2.275090801536e-14 7.53023011776e-15 ] [ -2.72370025536e-15 -3.36457090368e-14 -3.52478856576e-15 ] [ 3.220375007808e-14 3.476723267136e-14 1.297763062848e-14 ] [ 1.36185012768e-14 4.005441552e-14 -1.6021766208e-16 ] [ 2.72370025536e-15 4.181680980288e-14 -4.950725758272e-14 ] [ 3.508766799552e-14 -1.538089555968e-14 5.559552874176001e-14 ] [ -3.316505605055999e-14 -4.470072772032e-14 -2.291112567744e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }