{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9642707 -0.3604249 -5.4242658 ] [ -2.1119627 -1.6435746 4.6705677 ] [ -3.3469004 4.993879 -2.2426046 ] [ 0.1981193 -2.3777721 -1.9265555 ] [ 2.5745582 0.2042614 -3.000775 ] [ 2.7236947 -1.9572698 3.630741 ] [ 1.9267617 1.1409009 4.2928923 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.147108592462451e-09 -5.774643483341779e-10 -8.690631849765007e-09 ] [ -3.383737261941644e-09 -2.633296798660712e-09 7.483074374803629e-09 ] [ -5.362325573026169e-09 8.001076180904083e-09 -3.593048659818536e-09 ] [ 3.174221105892615e-10 -3.80961086821052e-09 -3.086682180773654e-09 ] [ 4.12489695692893e-09 3.272628396118771e-10 -4.80777154928112e-09 ] [ 4.36383997053687e-09 -3.135891914157892e-09 5.817088346380012e-09 ] [ 3.087012549592863e-09 1.827924748629679e-09 6.87797167867234e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.616104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.463281646158136e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9254379 2.0473214 1.1534295 ] [ 2.0484001 1.7131105 3.7667605 ] [ 2.2075373 4.0825289 2.6191848 ] [ 3.402031 0.2163797 2.0685408 ] [ 4.3476321 2.6771262 1.9857834 ] [ 4.5966239 1.1199597 4.0999433 ] [ 3.8584227 3.5093899 4.4402297 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9254379e-10 2.0473214e-10 1.1534295e-10 ] [ 2.0484001e-10 1.7131105e-10 3.7667605e-10 ] [ 2.2075373e-10 4.0825289e-10 2.6191848e-10 ] [ 3.402031e-10 2.163797e-11 2.0685408e-10 ] [ 4.3476321e-10 2.6771262e-10 1.9857834e-10 ] [ 4.5966239e-10 1.1199597e-10 4.0999433e-10 ] [ 3.8584227e-10 3.5093899e-10 4.4402297e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.09e-05 1.22e-05 8.5e-06 ] [ -3.42e-05 -2.26e-05 -3.51e-05 ] [ 8.3e-06 -1.85e-05 1.56e-05 ] [ -5.26e-05 5.6e-06 4.04e-05 ] [ -5.63e-05 -2.12e-05 -4.46e-05 ] [ 4.53e-05 1.38e-05 -3.31e-05 ] [ -1.4e-06 3.07e-05 4.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.4563785483072e-13 1.954655477376e-14 1.36185012768e-14 ] [ -5.479444043136e-14 -3.620919163008e-14 -5.623639939008e-14 ] [ 1.329806595264e-14 -2.96402674848e-14 2.499395528448e-14 ] [ -8.427449025408001e-14 8.972189076479999e-15 6.472793548032e-14 ] [ -9.020254375104e-14 -3.396614436096001e-14 -7.145707728768e-14 ] [ 7.257860092224001e-14 2.211003736704e-14 -5.303204614848e-14 ] [ -2.24304726912e-15 4.918682225856e-14 7.738513078464e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.454184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.917992188554143e-18 } }