{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2352442 1.6433619 -9.3939527 ] [ -1.3802701 -2.086787 15.989237 ] [ 10.085402 -4.0984419 -2.6784087 ] [ 1.7940105 5.1137161 -1.8742376 ] [ -4.2638982 -0.5718492 -2.0426379 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.989962482218802e-09 2.632956015693467e-09 -1.505077139284104e-08 ] [ -2.211436484609278e-09 -3.34340134398937e-09 2.561758170583033e-08 ] [ 1.615859529576956e-08 -6.566427793887132e-09 -4.291283800087321e-09 ] [ 2.874321680569718e-09 8.193076380828556e-09 -3.002859664544302e-09 ] [ -6.831518009511202e-09 -9.162034188631833e-10 -3.272666688140008e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.790652 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.049288359918876e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9693769 1.9003805 0.1123008 ] [ 1.0704182 1.5284906 2.6831628 ] [ 3.1075232 1.1469984 1.2335978 ] [ 2.1352354 3.5619224 1.6211476 ] [ 4.4964124 3.1038011 1.4620987 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.693769e-11 1.9003805e-10 1.123008e-11 ] [ 1.0704182e-10 1.5284906e-10 2.6831628e-10 ] [ 3.1075232e-10 1.1469984e-10 1.2335978e-10 ] [ 2.1352354e-10 3.5619224e-10 1.6211476e-10 ] [ 4.4964124e-10 3.1038011e-10 1.4620987e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.96e-05 8e-06 -0.0001158 ] [ -1.7e-05 -4.43e-05 0.0001101 ] [ 7.03e-05 -8.66e-05 -2.2e-06 ] [ 5.33e-05 0.0001247 9.6e-06 ] [ -7.7e-05 -1.8e-06 -1.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.742442797568e-14 1.28174129664e-14 -1.8553205268864e-13 ] [ -2.72370025536e-14 -7.097642430144e-14 1.7639964595008e-13 ] [ 1.1263301644224e-13 -1.3874849536128e-13 -3.52478856576e-15 ] [ 8.539601388864e-14 1.9979142461376e-13 1.538089555968e-14 ] [ -1.233675998016e-13 -2.88391791744e-15 -2.72370025536e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.808942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.693089389278319e-18 } }