{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6849505 0.4480139 -1.9068601 ] [ -0.3180552 0.3344903 0.8345889 ] [ -0.5860383 3.6294305 0.876165 ] [ 0.8301949 -0.5670053 -0.231337 ] [ -0.2552994 0.028444 -2.0065089 ] [ -1.956489 -2.1340626 0.8653805 ] [ 1.6007364 -1.7393109 1.5685716 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.097411686546617e-09 7.177974022872125e-10 -3.055126696526903e-09 ] [ -5.095806097621967e-10 5.359125429596502e-10 1.337158834575762e-09 ] [ -9.389368708890822e-10 5.814988741826936e-09 1.40377109052861e-09 ] [ 1.330118870445966e-09 -9.084426430141602e-10 -3.706427359796579e-10 ] [ -4.090347333542196e-10 4.5572312177496e-11 -3.214781675493043e-09 ] [ -3.134640960478026e-09 -3.419145233213288e-09 1.386492416619237e-09 ] [ 2.564662457273277e-09 -2.78668328324151e-09 2.513128766275994e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.48161 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.403039340670074e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0350947 4.0699736 3.2218145 ] [ 5.5078748 2.4554096 1.2062227 ] [ 3.8304945 0.858978 1.0335121 ] [ 2.9616812 1.7573171 2.9905956 ] [ 5.0388535 2.7854941 3.5114739 ] [ 4.8848219 4.5771151 1.9255253 ] [ 3.1605843 3.1583329 0.9771429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0350947e-10 4.0699736e-10 3.2218145e-10 ] [ 5.5078748e-10 2.4554096e-10 1.2062227e-10 ] [ 3.8304945e-10 8.58978e-11 1.0335121e-10 ] [ 2.9616812e-10 1.7573171e-10 2.9905956e-10 ] [ 5.038853500000001e-10 2.7854941e-10 3.5114739e-10 ] [ 4.884821900000001e-10 4.577115100000001e-10 1.9255253e-10 ] [ 3.1605843e-10 3.1583329e-10 9.771429000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 3.22e-05 -1.86e-05 ] [ 1.75e-05 -1.36e-05 1.32e-05 ] [ 2.1e-06 -5.77e-05 -2.25e-05 ] [ -3.1e-06 2.35e-05 -3.04e-05 ] [ 5.55e-05 1.6e-06 1.79e-05 ] [ -1.25e-05 1.97e-05 5.27e-05 ] [ -6.93e-05 -5.8e-06 -1.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.57013310132e-14 5.159008761479998e-14 -2.98004853924e-14 ] [ 2.8038091095e-14 -2.17896022224e-14 2.11487315688e-14 ] [ 3.364570931399999e-15 -9.24455917818e-14 -3.6048974265e-14 ] [ -4.9667475654e-15 3.765115089899999e-14 -4.870616967359999e-14 ] [ 8.892080318699998e-14 2.5634826144e-15 2.86789617486e-14 ] [ -2.0027207925e-14 3.15628796898e-14 8.44347086118e-14 ] [ -1.110308407362e-13 -9.2926244772e-15 -1.95465549348e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497209018275e-18 } }