{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.761721 1.020444 0.0090108 ] [ 0.5084234 2.183768 2.158754 ] [ 1.862989 0.5350959 1.816496 ] [ 0.5578759 0.1863455 0.8245653 ] [ 2.554812 2.767243 0.4680195 ] [ 2.723778 2.754915 2.18144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.761721e-10 1.020444e-10 9.010799999999999e-13 ] [ 5.084234e-11 2.183768e-10 2.158754e-10 ] [ 1.862989e-10 5.350959e-11 1.816496e-10 ] [ 5.578759e-11 1.863455e-11 8.245652999999999e-11 ] [ 2.554812e-10 2.767243e-10 4.680195e-11 ] [ 2.723778e-10 2.754915e-10 2.18144e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 15.559468 5.5757859 -41.9789253 ] [ -5.4437454 4.3489626 1.478422 ] [ 29.715313 -2.7869008 35.1261855 ] [ -48.778606 -22.9638283 -3.6457482 ] [ 1.6594697 9.864754 -23.965331 ] [ 7.2881008 5.9612265 32.985397 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.492901586168574e-08 8.933393811566286e-09 -6.725765268196963e-08 ] [ -8.721841609467545e-09 6.967806202453582e-09 2.368693164076378e-09 ] [ 4.760917976835431e-08 -4.465107306248817e-09 5.627835318598396e-08 ] [ -7.815194212841461e-08 -3.67921088263254e-08 -5.841132531363682e-09 ] [ 2.65876355626599e-09 1.580507822874328e-08 -3.839669303793348e-08 ] [ 1.167682471179378e-08 9.550937729593411e-09 5.284843190120646e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.720617 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.877849853875104e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1037446 0.7538211 -0.4381122 ] [ 0.3033237 1.9073518 2.6871664 ] [ 2.2060544 0.5299463 1.978873 ] [ 0.06108 0.4454548 0.7909313 ] [ 2.8335286 2.8963792 0.0743639 ] [ 2.461868 2.9148582 2.3650632 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1037446e-10 7.538211e-11 -4.381122e-11 ] [ 3.033237e-11 1.9073518e-10 2.6871664e-10 ] [ 2.2060544e-10 5.299463e-11 1.978873e-10 ] [ 6.108e-12 4.454548e-11 7.909313e-11 ] [ 2.8335286e-10 2.8963792e-10 7.436389999999999e-12 ] [ 2.461868e-10 2.9148582e-10 2.3650632e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.25e-05 -2.55e-05 -4.53e-05 ] [ 2.93e-05 -4.43e-05 -1.35e-05 ] [ 2e-07 -1.73e-05 3.53e-05 ] [ -3.33e-05 3.75e-05 2.31e-05 ] [ 1.9e-05 1.49e-05 5.6e-06 ] [ -2.78e-05 3.46e-05 -5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.002720776e-14 -4.08555038304e-14 -7.257860092224001e-14 ] [ 4.694377498944e-14 -7.097642430144e-14 -2.16293843808e-14 ] [ 3.2043532416e-16 -2.771765553984e-14 5.655683471424e-14 ] [ -5.335248147264001e-14 6.008162327999999e-14 3.701027994048e-14 ] [ 3.04413557952e-14 2.387243164992e-14 8.972189076479999e-15 ] [ -4.454051005824e-14 5.543531107968001e-14 -8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.34272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.938827714588058e-18 } }