{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.1442437 -3.2083342 3.39904 ] [ -7.2948136 14.6431413 -1.1009612 ] [ -17.5246247 -6.6605722 -15.4713763 ] [ 6.3224733 -14.4065063 -6.3410982 ] [ 5.4838292 -3.5095179 6.0674923 ] [ 20.9204774 14.0714994 -6.8510061 ] [ -3.7630979 -0.92971 20.2979096 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.639810367037688e-09 -5.140318046953072e-09 5.445862421164032e-09 ] [ -1.168757980301388e-08 2.346089864593092e-08 -1.763934295047913e-09 ] [ -2.807754398263422e-08 -1.067141305999042e-08 -2.478787739945921e-08 ] [ 1.012971890689222e-08 -2.308176758126791e-08 -1.015955928623696e-08 ] [ 8.786062936700368e-09 -5.622867529659113e-09 9.72119430994402e-09 ] [ 3.351829978625477e-08 2.254502735828123e-08 -1.097652180237819e-08 ] [ -6.029147477161576e-09 -1.489559626123968e-09 3.252083621223188e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.5295441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.046148290150258e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7434524 2.7692583 3.6886399 ] [ 3.1785917 5.3391727 1.3780801 ] [ 2.5377478 3.0648777 1.4806239 ] [ 4.642296 1.9941596 1.5969022 ] [ 5.4382724 3.2201903 3.4549515 ] [ 5.1340405 5.4438768 2.7091097 ] [ 3.6989023 2.8739555 5.0196659 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7434524e-10 2.7692583e-10 3.6886399e-10 ] [ 3.1785917e-10 5.3391727e-10 1.3780801e-10 ] [ 2.5377478e-10 3.0648777e-10 1.4806239e-10 ] [ 4.642296e-10 1.9941596e-10 1.5969022e-10 ] [ 5.4382724e-10 3.2201903e-10 3.4549515e-10 ] [ 5.134040500000001e-10 5.4438768e-10 2.7091097e-10 ] [ 3.6989023e-10 2.8739555e-10 5.0196659e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.98e-05 1.27e-05 -2.88e-05 ] [ 3.29e-05 -1.13e-05 3.27e-05 ] [ -3.99e-05 -3.08e-05 -1.48e-05 ] [ -8.6e-06 1.55e-05 5.2e-06 ] [ 4.9e-06 -2.39e-05 -1.83e-05 ] [ -2.45e-05 1.74e-05 2.8e-06 ] [ -1.46e-05 2.03e-05 2.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.978839571583999e-14 2.034764308416e-14 -4.614268667904e-14 ] [ 5.271161082432e-14 -1.810459581504e-14 5.239117550016001e-14 ] [ -6.392684716992e-14 -4.934703992064001e-14 -2.371221398784e-14 ] [ -1.377871893888e-14 2.48337376224e-14 8.33131842816e-15 ] [ 7.850665441919999e-15 -3.829202123712e-14 -2.931983216064e-14 ] [ -3.92533272096e-14 2.787787320192e-14 4.48609453824e-15 ] [ -2.339177866368e-14 3.252418540224e-14 3.396614436096001e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }