{ "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" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.249732 -1.5028566 -1.8773762 ] [ 0.1220633 0.0531839 1.4761752 ] [ -0.0002847 0.8189271 -0.2285866 ] [ -1.1408071 1.204679 0.1075135 ] [ 0.7692964 -0.5739335 0.5222741 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.001147718656256e-10 -2.407841708934977e-09 -3.007888256086345e-09 ] [ 1.955669655176966e-10 8.521000118296512e-11 2.365093393644764e-09 ] [ -4.561396839417599e-13 1.312065853759544e-09 -3.662361063481613e-10 ] [ -1.827774464462648e-09 1.930108529368723e-09 1.722556161203808e-10 ] [ 1.232548706545605e-09 -9.195428355939168e-10 8.367753526693612e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.584235775408899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.344755383595099e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8016687 1.5491421 2.0542402 ] [ 2.0307076 2.1949519 4.2897423 ] [ 2.5583177 3.7384002 2.3730256 ] [ 4.0087042 1.7274628 2.8053692 ] [ 3.9301498 3.558074 4.2578468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8016687e-10 1.5491421e-10 2.0542402e-10 ] [ 2.0307076e-10 2.1949519e-10 4.2897423e-10 ] [ 2.5583177e-10 3.7384002e-10 2.3730256e-10 ] [ 4.0087042e-10 1.7274628e-10 2.8053692e-10 ] [ 3.9301498e-10 3.558074e-10 4.257846800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 -4.2e-06 -5e-07 ] [ -5e-07 4.3e-06 -2.2e-06 ] [ 5e-07 -3.6e-06 8e-07 ] [ -1.8e-06 5.6e-06 -2.1e-06 ] [ 2.8e-06 -2e-06 4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 -6.72914180736e-15 -8.010883104e-16 ] [ -8.010883104e-16 6.889359469440001e-15 -3.52478856576e-15 ] [ 8.010883104e-16 -5.76783583488e-15 1.28174129664e-15 ] [ -2.88391791744e-15 8.972189076479999e-15 -3.36457090368e-15 ] [ 4.48609453824e-15 -3.2043532416e-15 6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }