{ "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" [ [ 1.2724057 1.5650202 -0.4967675 ] [ -0.0713168 0.7613042 1.0589851 ] [ -4.0548141 -1.7479524 -0.1773864 ] [ 1.049024 -1.0430698 1.115813 ] [ -1.5384335 0.6286773 -0.746626 ] [ 2.8654284 0.6560931 1.0969015 ] [ 0.4777062 -0.8200725 -1.8509196 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.038618664712658e-09 2.50743877551974e-09 -7.95909274473264e-10 ] [ -1.142621096302695e-10 1.219743790556847e-09 1.69668116899555e-09 ] [ -6.496528352710193e-09 -2.80052846955125e-09 -2.842043429278771e-10 ] [ 1.680721727458099e-09 -1.671182047422532e-09 1.78772950178471e-09 ] [ -2.464842186355517e-09 1.007252072087668e-09 -1.196226721681421e-09 ] [ 4.590922391056351e-09 1.051177025888197e-09 1.757429938620451e-09 ] [ 7.653697052512091e-10 -1.313900986861008e-09 -2.965500110100488e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.862699085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.099525603048973e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9273056 1.9286916 3.3866879 ] [ 3.0228407 5.7315709 2.4101833 ] [ 2.60143 3.5471499 1.7112579 ] [ 4.5175686 2.1856804 1.624613 ] [ 5.1185899 2.7461694 3.8661546 ] [ 4.9421309 4.4203749 2.2234218 ] [ 3.2434373 4.1458539 4.1056545 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9273056e-10 1.9286916e-10 3.3866879e-10 ] [ 3.022840700000001e-10 5.731570900000001e-10 2.4101833e-10 ] [ 2.60143e-10 3.5471499e-10 1.7112579e-10 ] [ 4.5175686e-10 2.1856804e-10 1.624613e-10 ] [ 5.1185899e-10 2.7461694e-10 3.8661546e-10 ] [ 4.942130900000001e-10 4.4203749e-10 2.2234218e-10 ] [ 3.2434373e-10 4.1458539e-10 4.1056545e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.68e-05 -1.43e-05 -1.71e-05 ] [ -9.6e-06 6.01e-05 -7.5e-06 ] [ 3.39e-05 -3.51e-05 1.25e-05 ] [ -3.5e-05 3.52e-05 5.28e-05 ] [ -2.65e-05 -1.67e-05 -2.77e-05 ] [ -4.7e-06 -2.35e-05 -2.1e-06 ] [ 5.1e-06 -5.7e-06 -1.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.896009964544001e-14 -2.291112567744e-14 -2.739722021568e-14 ] [ -1.538089555968e-14 9.629081491008e-14 -1.2016324656e-14 ] [ 5.431378744512e-14 -5.623639939008e-14 2.002720776e-14 ] [ -5.6076181728e-14 5.639661705216e-14 8.459492557824e-14 ] [ -4.24576804512e-14 -2.675634956736e-14 -4.438029239616e-14 ] [ -7.53023011776e-15 -3.76511505888e-14 -3.36457090368e-15 ] [ 8.17110076608e-15 -9.13240673856e-15 -1.730350750464e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }