{ "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" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6902569 -3.6095663 -9.0776568 ] [ -5.6277754 -9.9762785 3.4114699 ] [ -2.5000646 7.6409732 7.9779121 ] [ 0.871641 -16.3271735 -9.0540066 ] [ 8.2721298 -13.5067709 -1.0741117 ] [ 3.7485394 17.259959 -1.3544032 ] [ -1.0742133 18.5188571 9.1707963 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.912443329925884e-09 -5.783162737087559e-09 -1.454400949660614e-08 ] [ -9.016690172993368e-09 -1.598376017528969e-08 5.465777316342914e-09 ] [ -4.005545052609704e-09 1.224218862119936e-08 1.278202424941743e-08 ] [ 1.396522831930733e-09 -2.615901566544531e-08 -1.45061176990889e-08 ] [ 1.325341296978298e-08 -2.164023255848178e-08 -1.720916653867743e-09 ] [ 6.005822188827659e-09 2.765350278576655e-08 -2.169993142176707e-09 ] [ -1.721079435012417e-09 2.967047988955609e-08 1.469323542597914e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.263501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.285264783295742e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.515574 2.1046161 1.1260539 ] [ 2.5719503 1.4877218 3.5101237 ] [ 1.9645353 4.0788179 2.7980273 ] [ 4.1063411 1.8921454 1.1449523 ] [ 5.2386135 1.2509865 3.3953762 ] [ 4.3350976 4.3641406 1.6995469 ] [ 4.2614903 3.5521507 4.1981207 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515574e-10 2.1046161e-10 1.1260539e-10 ] [ 2.5719503e-10 1.4877218e-10 3.5101237e-10 ] [ 1.9645353e-10 4.0788179e-10 2.7980273e-10 ] [ 4.1063411e-10 1.8921454e-10 1.1449523e-10 ] [ 5.2386135e-10 1.2509865e-10 3.3953762e-10 ] [ 4.3350976e-10 4.3641406e-10 1.6995469e-10 ] [ 4.2614903e-10 3.5521507e-10 4.1981207e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.65e-05 -8.5e-06 3.82e-05 ] [ 5.04e-05 3.89e-05 -9.04e-05 ] [ 2.66e-05 -2.72e-05 9.7e-06 ] [ -7.12e-05 9.4e-06 2.5e-05 ] [ -2.7e-05 -2.48e-05 1.73e-05 ] [ -1.78e-05 -7.9e-06 -8.3e-06 ] [ -1.75e-05 2.01e-05 8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.052297907519999e-14 -1.36185012768e-14 6.120314691456e-14 ] [ 8.074970168832e-14 6.232467054911999e-14 -1.4483676652032e-13 ] [ 4.261789811328e-14 -4.357920408576e-14 1.554111322176e-14 ] [ -1.1407497540096e-13 1.506046023552e-14 4.005441552e-14 ] [ -4.32587687616e-14 -3.973398019584e-14 2.771765553984e-14 ] [ -2.851874385024e-14 -1.265719530432e-14 -1.329806595264e-14 ] [ -2.8038090864e-14 3.220375007808e-14 1.345828361472e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.847122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.820730134176534e-18 } }