{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.5178769 -15.4545375 -30.6333617 ] [ -21.0404013 -24.7929918 20.3367302 ] [ -33.5032728 35.3694608 1.0291158 ] [ 4.2415828 -26.1666278 6.4386195 ] [ 14.3722623 10.5133094 -16.9507894 ] [ 30.411952 20.531387 19.7796856 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.84061336563238e-09 -2.476089866777688e-08 -4.908005593225014e-08 ] [ -3.371043905510993e-08 -3.972275182164611e-08 3.258303366995731e-08 ] [ -5.367816040044455e-08 5.666812318406206e-08 1.648825274855889e-09 ] [ 6.795764797347402e-09 -4.192355930633534e-08 1.031580563312699e-08 ] [ 2.302690264506524e-08 1.684417852791688e-08 -2.715815848078446e-08 ] [ 4.87253184872918e-08 3.289490824399705e-08 3.169054983509442e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.426466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.952245302916609e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9831951 0.5361305 0.0562359 ] [ 0.1343918 0.0474107 2.8453744 ] [ -0.6036061 1.9880283 2.1086483 ] [ 2.1530229 -0.2257348 3.701915 ] [ 2.3266921 1.9402434 1.0882119 ] [ 3.3149925 1.531318 3.0103236 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.831951e-11 5.361305e-11 5.62359e-12 ] [ 1.343918e-11 4.74107e-12 2.8453744e-10 ] [ -6.036061e-11 1.9880283e-10 2.1086483e-10 ] [ 2.1530229e-10 -2.257348e-11 3.701915e-10 ] [ 2.3266921e-10 1.9402434e-10 1.0882119e-10 ] [ 3.3149925e-10 1.531318e-10 3.0103236e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1751224 0.0933736 -0.3574586 ] [ 0.4029658 0.1699244 0.3055854 ] [ -0.2543532 -0.3109513 -0.0284531 ] [ -0.063268 0.603273 -0.1846831 ] [ -0.057761 0.2141284 -0.5664281 ] [ 0.1475387 -0.7697481 0.8314375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.80577015058386e-10 1.496009989199309e-10 -5.72711811823899e-10 ] [ 6.456223837419686e-10 2.722489009834675e-10 4.896017835378163e-10 ] [ -4.075187504656666e-10 -4.98198903067367e-10 -4.558689160928448e-11 ] [ -1.013665104447744e-10 9.665498965598784e-10 -2.958949450768685e-10 ] [ -9.25433237940288e-11 3.430715163293107e-10 -9.075178591841644e-10 ] [ 2.36383055803225e-10 -1.233272409725221e-09 1.3321097241564e-09 ] ] } "relaxed-potential-energy" { "source-value" -12.29631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.970086040410925e-18 } }