{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2534568 0.6775582 0.0379224 ] [ -2.4075695 -8.5769004 0.8327037 ] [ -9.4500832 -1.2432476 -2.3671171 ] [ 2.5992999 8.5844748 5.0413245 ] [ 0.0661865 -0.9525808 -0.4095463 ] [ 5.5482699 4.9626065 -0.5894802 ] [ 2.3904395 -3.4519107 -2.545807 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.008259196688411e-09 1.085567916215099e-09 6.07583831852016e-11 ] [ -3.857351597631063e-09 -1.374170941302525e-08 1.334138411185346e-09 ] [ -1.514070249239595e-08 -1.991902254996578e-09 -3.792539707561841e-09 ] [ 4.164537564538537e-09 1.375384493972182e-08 8.077092318311732e-09 ] [ 1.06042463786241e-10 -1.526202699757027e-09 -6.561655124011541e-10 ] [ 8.889308392905517e-09 7.95097217803652e-09 -9.444514026456466e-10 ] [ 3.829906311890642e-09 -5.530570666194583e-09 -4.078832490073637e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.400728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.826598001218955e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5375214 1.3861332 1.8386004 ] [ 1.782491 2.3101991 3.4739256 ] [ 1.3822147 4.1983746 1.8734889 ] [ 3.284084 4.5419296 3.7672468 ] [ 4.3419038 2.296118 4.0397925 ] [ 3.6924729 5.3596239 1.4431211 ] [ 3.1589031 3.1721863 0.3247303 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5375214e-10 1.3861332e-10 1.8386004e-10 ] [ 1.782491e-10 2.3101991e-10 3.4739256e-10 ] [ 1.3822147e-10 4.1983746e-10 1.8734889e-10 ] [ 3.284084e-10 4.5419296e-10 3.7672468e-10 ] [ 4.3419038e-10 2.296118e-10 4.0397925e-10 ] [ 3.6924729e-10 5.3596239e-10 1.4431211e-10 ] [ 3.1589031e-10 3.1721863e-10 3.247303e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 -2.49e-05 1.22e-05 ] [ 4.3e-06 4.47e-05 -3e-06 ] [ 8.04e-05 -1.43e-05 6.09e-05 ] [ -6.65e-05 -2.48e-05 -8.22e-05 ] [ 1.52e-05 -1.88e-05 4.61e-05 ] [ -1.86e-05 -6.1e-06 1.31e-05 ] [ -1.94e-05 4.41e-05 -4.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.209794853e-15 -3.989419818659999e-14 1.95465549348e-14 ] [ 6.8893595262e-15 7.16172955398e-14 -4.806529901999999e-15 ] [ 1.288150013736e-13 -2.29111258662e-14 9.757255701059999e-14 ] [ -1.06544746161e-13 -3.97339805232e-14 -1.316989193148e-13 ] [ 2.43530848368e-14 -3.012092071919999e-14 7.386034282739999e-14 ] [ -2.98004853924e-14 -9.773277467399999e-15 2.09885139054e-14 ] [ -3.10822266996e-14 7.06559895594e-14 -7.546251946139999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.016851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.726400105645953e-18 } }