{ "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" [ [ 1.558502 1.467528 2.474942 ] [ 1.379624 2.873279 4.407553 ] [ 1.24144 3.597751 1.918679 ] [ 3.591005 1.301821 3.64335 ] [ 3.465479 3.687448 2.931727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.558502e-10 1.467528e-10 2.474942e-10 ] [ 1.379624e-10 2.873279e-10 4.407553e-10 ] [ 1.24144e-10 3.597751e-10 1.918679e-10 ] [ 3.591005e-10 1.301821e-10 3.64335e-10 ] [ 3.465479e-10 3.687448e-10 2.931727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1090937 -6.7598442 -2.6335687 ] [ -3.1024927 1.317508 6.0772319 ] [ -1.4130474 3.1663366 -3.5449884 ] [ 2.7962155 -1.7268859 0.2601947 ] [ 4.8284184 4.0028855 -0.1588695 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.981317238016569e-09 -1.083046433749048e-08 -4.219442200410649e-09 ] [ -4.970741270142668e-09 2.110880515316966e-09 9.736798869359963e-09 ] [ -2.263951508362226e-09 5.073030474103362e-09 -5.679697535487199e-09 ] [ 4.480031100818583e-09 -2.766776215769167e-09 4.168778651960697e-10 ] [ 7.735979075920545e-09 6.413329563839318e-09 -2.545369986581856e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.2626016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.829440627304674e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2383638 1.3306133 2.7648762 ] [ 1.3300021 2.9202258 4.703451 ] [ 1.6815406 3.4360941 1.474959 ] [ 3.7300808 1.4003922 3.0473433 ] [ 3.2560627 3.8405016 3.3856214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2383638e-10 1.3306133e-10 2.7648762e-10 ] [ 1.3300021e-10 2.9202258e-10 4.703451e-10 ] [ 1.6815406e-10 3.4360941e-10 1.474959e-10 ] [ 3.7300808e-10 1.4003922e-10 3.0473433e-10 ] [ 3.256062700000001e-10 3.8405016e-10 3.3856214e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.99e-05 3.94e-05 5.5e-06 ] [ 1e-07 -2.43e-05 8.6e-06 ] [ 1.25e-05 -3.09e-05 -3.8e-06 ] [ -2.93e-05 1.1e-06 -9.2e-06 ] [ -3.2e-06 1.46e-05 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.188331475392e-14 6.312575885952001e-14 8.8119714144e-15 ] [ 1.6021766208e-16 -3.893289188544e-14 1.377871893888e-14 ] [ 2.002720776e-14 -4.950725758272e-14 -6.08827115904e-15 ] [ -4.694377498944e-14 1.76239428288e-15 -1.474002491136e-14 ] [ -5.126965186560001e-15 2.339177866368e-14 -1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.9990301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121368239449549e-18 } }