{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2621558 -0.1629297 -0.0879831 ] [ -0.0723742 7.2464653 3.6827912 ] [ 8.5199659 -7.7338443 -2.451046 ] [ 0.0 0.0 0.0 ] [ 1.5740459 9.9185182 -1.1429278 ] [ 3.2827817 1.7431656 -5.0730101 ] [ -13.0422635 -11.0113751 5.0721758 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.200198937671206e-10 -2.610421561739578e-10 -1.409644658455085e-10 ] [ -1.159562511891034e-10 1.161011728709846e-08 5.900481959927977e-09 ] [ 1.365049017499323e-08 -1.239098452636734e-08 -3.927008597705357e-09 ] [ 0.0 0.0 0.0 ] [ 2.521899541046095e-09 1.58912179730193e-08 -1.831172200422379e-09 ] [ 5.25959609093008e-09 2.792859170502805e-09 -8.127858179302271e-09 ] [ -2.089600966201318e-08 -1.764216774807926e-08 8.126521483347538e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5504702 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.04950102096871e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.5286116 0.1289233 1.1308052 ] [ 0.841101 1.8146934 1.4729345 ] [ 2.55799 2.5863698 2.6143982 ] [ 1.738494 0.324563 4.412062 ] [ 5.7054726 0.6987142 3.6256908 ] [ 3.9534892 2.9587988 6.1526111 ] [ 4.1260687 2.1555036 4.1107282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.286116e-11 1.289233e-11 1.1308052e-10 ] [ 8.41101e-11 1.8146934e-10 1.4729345e-10 ] [ 2.55799e-10 2.5863698e-10 2.6143982e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 5.705472600000001e-10 6.987141999999999e-11 3.6256908e-10 ] [ 3.9534892e-10 2.9587988e-10 6.1526111e-10 ] [ 4.126068700000001e-10 2.1555036e-10 4.1107282e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1188603 -0.0377641 -0.0873425 ] [ 0.0937465 0.0296959 0.0807584 ] [ 0.3033071 -0.1120537 0.2761396 ] [ 0.0 0.0 0.0 ] [ 0.257026 -0.1637491 -0.0793671 ] [ -0.013285 0.2364268 0.4730122 ] [ -0.5219344 0.0474442 -0.6632006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.904351938012742e-10 -6.050475812555329e-11 -1.39938111502224e-10 ] [ 1.501984505818272e-10 4.757807671361472e-11 1.293892204132147e-10 ] [ 4.859515445426476e-10 -1.79529818414137e-10 4.424244111970637e-10 ] [ 0.0 0.0 0.0 ] [ 4.118010481377408e-10 -2.623549796970413e-10 -1.271601120806957e-10 ] [ -2.1284916407328e-11 3.787974914905575e-10 7.578490881931738e-10 ] [ -8.362310932712756e-10 7.601398803255936e-11 -1.062564496220532e-09 ] ] } "relaxed-potential-energy" { "source-value" -12.966157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.077407360702227e-18 } }