{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -47.9311543 -33.6489977 -52.8116433 ] [ -1.4039209 0.6447649 -0.2116012 ] [ 87.8315344 -34.7651523 9.7472955 ] [ -50.0616042 56.1249374 45.3706484 ] [ 11.5651451 11.6444477 -2.0946994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.679417546010863e-08 -5.391163787245974e-08 -8.461358089840264e-08 ] [ -2.249329261964251e-09 1.033027257203346e-09 -3.390224983663607e-10 ] [ 1.407216321440472e-07 -5.569991469251135e-08 1.561688909479334e-08 ] [ -8.020753250979625e-08 8.99220632869927e-08 7.269179273590948e-08 ] [ 1.852940524803959e-08 1.865646202077504e-08 -3.356078433933819e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 25.213904 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.039712784071913e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1740033 -0.1484722 0.7058573 ] [ 0.2699482 2.2052749 1.2731226 ] [ 2.6915189 -0.1011944 2.7973112 ] [ 1.7626058 2.1552557 3.2568287 ] [ 3.5302044 3.7097109 2.8008253 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1740033e-10 -1.484722e-11 7.058573e-11 ] [ 2.699482e-11 2.2052749e-10 1.2731226e-10 ] [ 2.6915189e-10 -1.011944e-11 2.797311200000001e-10 ] [ 1.7626058e-10 2.1552557e-10 3.2568287e-10 ] [ 3.5302044e-10 3.7097109e-10 2.8008253e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.68e-05 1.5e-06 2.53e-05 ] [ 5.1e-06 1.48e-05 -3.5e-06 ] [ 4.3e-06 -2.28e-05 -2.5e-05 ] [ 1.17e-05 4.23e-05 6e-06 ] [ -3.8e-05 -3.57e-05 -2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.691656745119999e-14 2.403264951e-15 4.053506884019999e-14 ] [ 8.1711008334e-15 2.37122141832e-14 -5.607618218999999e-15 ] [ 6.8893595262e-15 -3.65296272552e-14 -4.005441585e-14 ] [ 1.87454666178e-14 6.77720716182e-14 9.613059803999999e-15 ] [ -6.088271209199999e-14 -5.719770583379999e-14 -4.486094575199999e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196954159838e-18 } }