{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.0525897 3.6468503 -4.0785039 ] [ 2.7561663 -1.0117914 5.5487644 ] [ -3.1571633 8.2152947 -1.2387345 ] [ 2.628939 5.4656075 -0.1285333 ] [ -12.5718875 -12.8980081 -9.5598349 ] [ 1.9578471 -2.9986714 3.7216675 ] [ -2.6664913 -0.4192816 5.7351746 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.770820096252907e-08 5.842898338355889e-09 -6.534483650257872e-09 ] [ 4.415865245278234e-09 -1.621068539562147e-09 8.890100669251028e-09 ] [ -5.058333268982333e-09 1.316235320976404e-08 -1.984671471629673e-09 ] [ 4.212024638011325e-09 8.756868627115154e-09 -2.059330499509122e-10 ] [ -2.014238439777667e-08 -2.066488720296273e-08 -1.531654410167773e-08 ] [ 3.136816876564661e-09 -4.804401250124067e-09 5.962768708017195e-09 ] [ -4.272190055624283e-09 -6.717631825861343e-10 9.188762736030294e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.594171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.780202947480041e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9518379 2.0549204 1.1825718 ] [ 2.1282462 1.7483486 3.700359 ] [ 2.2297022 4.0499513 2.6248907 ] [ 3.3961261 0.2536309 2.0808976 ] [ 4.2677711 2.6418939 2.0521755 ] [ 4.5666397 1.1354078 4.0783863 ] [ 3.8457619 3.4816635 4.4145912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9518379e-10 2.0549204e-10 1.1825718e-10 ] [ 2.1282462e-10 1.7483486e-10 3.700359e-10 ] [ 2.2297022e-10 4.0499513e-10 2.6248907e-10 ] [ 3.3961261e-10 2.536309e-11 2.0808976e-10 ] [ 4.2677711e-10 2.6418939e-10 2.0521755e-10 ] [ 4.5666397e-10 1.1354078e-10 4.0783863e-10 ] [ 3.8457619e-10 3.4816635e-10 4.414591200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.81e-05 1.45e-05 9.07e-05 ] [ 0.000243 -5.96e-05 -5.31e-05 ] [ 7.39e-05 -4.13e-05 -4.45e-05 ] [ 1.91e-05 0.0002569 8.69e-05 ] [ 8.7e-06 -0.0001758 6.44e-05 ] [ -0.0001651 0.0001171 -0.0001038 ] [ -0.0001115 -0.0001118 -4.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.091082287754e-13 2.3231561193e-14 1.453174207038e-13 ] [ 3.893289220619999e-13 -9.54897273864e-14 -8.507557926539999e-14 ] [ 1.184008532526e-13 -6.61698949842e-14 -7.129686021299999e-14 ] [ 3.06015737094e-14 4.115991772745999e-13 1.392291494946e-13 ] [ 1.39389367158e-14 -2.816626522572e-13 1.031801752296e-13 ] [ -2.645193622734e-13 1.876148838414e-13 -1.663059346092e-13 ] [ -1.78642694691e-13 -1.791233476812e-13 -6.520858900379999e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.041216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.492698106414694e-18 } }