{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5077226 0.5292864 -0.5125416 ] [ 0.0033613 0.5414964 -0.8860939 ] [ 1.1627505 -1.2632465 -0.1624256 ] [ 0.9597231 0.7051209 -1.3032206 ] [ 0.1362746 -1.2697365 -0.1772935 ] [ -2.2216295 -0.9632892 0.2214343 ] [ 1.4672426 1.7203685 2.820141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.41563790037179e-09 8.480102957873972e-10 -8.211821687074254e-10 ] [ 5.38539627549504e-12 8.675728723273651e-10 -1.419678930413493e-09 ] [ 1.862931666923511e-09 -2.023944008607427e-09 -2.602344989394125e-10 ] [ 1.5376459132617e-09 1.129728220817455e-09 -2.087989577064948e-09 ] [ 2.183359781288717e-10 -2.03434213487642e-09 -2.840555007198048e-10 ] [ -3.559442844979594e-09 -1.543359435309135e-09 3.547768585032134e-10 ] [ 2.350781790761806e-09 2.756334189860765e-09 4.518363977559533e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.320495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.53744349784833e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9499289 2.4749319 3.7506705 ] [ 2.1354541 4.6712801 2.9516696 ] [ 2.9574674 2.8739611 1.650489 ] [ 4.9896422 2.3041803 2.6673188 ] [ 3.9431743 1.6194762 4.6101071 ] [ 4.4336731 4.5377792 2.5218213 ] [ 3.611637 3.9434821 4.6565878 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9499289e-10 2.4749319e-10 3.7506705e-10 ] [ 2.1354541e-10 4.671280099999999e-10 2.9516696e-10 ] [ 2.9574674e-10 2.8739611e-10 1.650489e-10 ] [ 4.9896422e-10 2.3041803e-10 2.6673188e-10 ] [ 3.9431743e-10 1.6194762e-10 4.6101071e-10 ] [ 4.4336731e-10 4.5377792e-10 2.5218213e-10 ] [ 3.611637e-10 3.9434821e-10 4.6565878e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.54e-05 -2.47e-05 2.54e-05 ] [ 1.48e-05 4.64e-05 -3.87e-05 ] [ 1e-05 1.9e-05 -4.5e-06 ] [ -1.15e-05 6.2e-06 -1e-07 ] [ 5.05e-05 -3.49e-05 -1.9e-06 ] [ -1.5e-05 -3.31e-05 4.1e-06 ] [ -2.34e-05 2.11e-05 1.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.069528616832e-14 -3.957376253376001e-14 4.069528616832e-14 ] [ 2.371221398784e-14 7.434099520512001e-14 -6.200423522496e-14 ] [ 1.6021766208e-14 3.04413557952e-14 -7.2097947936e-15 ] [ -1.84250311392e-14 9.93349504896e-15 -1.6021766208e-16 ] [ 8.090991935040001e-14 -5.591596406592e-14 -3.04413557952e-15 ] [ -2.4032649312e-14 -5.303204614848e-14 6.568924145279999e-15 ] [ -3.749093292672001e-14 3.380592669888e-14 2.499395528448e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.337723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.860639051890644e-18 } }