{ "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" [ [ 1.222424 2.904477 0.9358623 ] [ 1.494107 1.000567 2.599919 ] [ 2.753047 4.765039 1.902757 ] [ 2.502796 3.18307 3.733295 ] [ 3.53967 2.110225 1.931082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.222424e-10 2.904477e-10 9.358623e-11 ] [ 1.494107e-10 1.000567e-10 2.599919e-10 ] [ 2.753047e-10 4.765039e-10 1.902757e-10 ] [ 2.502796e-10 3.18307e-10 3.733295e-10 ] [ 3.53967e-10 2.110225e-10 1.931082e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.41704 -0.0540136 4.0074671 ] [ 0.6632838 2.466149 -0.0635785 ] [ -0.3619471 -3.4854109 -0.3149541 ] [ -1.9133299 -1.1015416 -2.4240461 ] [ -1.8050468 2.1748171 -1.2048883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.474701600338432e-09 -8.653932712524287e-11 6.420670096245177e-09 ] [ 1.062697797315383e-09 3.951206271209299e-09 -1.018639862855328e-10 ] [ -5.799031815863598e-10 -5.584243857861487e-09 -5.046120956451052e-10 ] [ -3.065492433657602e-09 -1.764864198358625e-09 -3.883749989161419e-09 ] [ -2.892003782409854e-09 3.484441112136056e-09 -1.930443864935457e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.907426 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.548650603430606e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2481611 2.9737169 1.2937025 ] [ 1.6409584 0.9909113 2.6210006 ] [ 2.9638593 4.5944404 1.820166 ] [ 2.1239036 3.1594136 3.5759282 ] [ 3.5351616 2.2448959 1.792118 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2481611e-10 2.9737169e-10 1.2937025e-10 ] [ 1.6409584e-10 9.909113000000001e-11 2.6210006e-10 ] [ 2.9638593e-10 4.5944404e-10 1.820166e-10 ] [ 2.1239036e-10 3.1594136e-10 3.5759282e-10 ] [ 3.5351616e-10 2.2448959e-10 1.792118e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 1.3e-06 -1.26e-05 ] [ 5.8e-06 6.6e-06 -5.5e-06 ] [ -3.6e-06 -2.2e-05 2.7e-06 ] [ 7.4e-06 6.4e-06 1.26e-05 ] [ -5.2e-06 7.6e-06 2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.889359469440001e-15 2.08282960704e-15 -2.018742542208e-14 ] [ 9.292624400640001e-15 1.057436569728e-14 -8.8119714144e-15 ] [ -5.76783583488e-15 -3.52478856576e-14 4.32587687616e-15 ] [ 1.185610699392e-14 1.025393037312e-14 2.018742542208e-14 ] [ -8.33131842816e-15 1.217654231808e-14 4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }