{ "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" [ [ 0.1226517 0.1643142 2.08525 ] [ 0.897513 2.739377 0.422181 ] [ 0.4967103 2.508008 2.34433 ] [ 2.384655 1.344784 0.6822557 ] [ 2.452846 2.947826 1.504929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.226517e-11 1.643142e-11 2.08525e-10 ] [ 8.97513e-11 2.739377e-10 4.22181e-11 ] [ 4.967103e-11 2.508008e-10 2.34433e-10 ] [ 2.384655e-10 1.344784e-10 6.822557000000001e-11 ] [ 2.452846e-10 2.947826e-10 1.504929e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.399565 0.8033914 -2.4593887 ] [ -138.7562211 85.2407839 -150.762973 ] [ -44.9761463 -11.2977392 100.9635745 ] [ 78.9340692 -326.6412891 -108.2573878 ] [ 100.3987332 251.894853 160.5161749 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.048880184689952e-09 1.287174918431781e-09 -3.940375076599705e-09 ] [ -2.223119734369757e-07 1.365707911032451e-07 -2.415489106229016e-07 ] [ -7.205973009554043e-08 -1.81009736141357e-08 1.61761478616299e-07 ] [ 1.264663202568494e-07 -5.233370367839938e-07 -1.734474557620392e-07 ] [ 1.608565030909768e-07 4.035800443764528e-07 2.571752626850238e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 92.077822 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.475249337025839e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.5177329 0.0708792 2.2331635 ] [ 0.7403709 3.0453047 -0.0430682 ] [ 0.1998559 2.5913931 2.4985172 ] [ 2.186157 0.9038203 0.4875876 ] [ 2.7102593 3.0929119 1.8627455 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.177329000000001e-11 7.08792e-12 2.2331635e-10 ] [ 7.403709000000001e-11 3.0453047e-10 -4.30682e-12 ] [ 1.998559e-11 2.5913931e-10 2.4985172e-10 ] [ 2.186157e-10 9.038203000000001e-11 4.875876e-11 ] [ 2.7102593e-10 3.0929119e-10 1.8627455e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.6e-06 1.23e-05 -4.85e-05 ] [ 2.63e-05 -1.97e-05 4.08e-05 ] [ 2.95e-05 -2.91e-05 -2.18e-05 ] [ -5.18e-05 1.95e-05 7.25e-05 ] [ -1.16e-05 1.69e-05 -4.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.217654231808e-14 1.970677243584e-14 -7.77055661088e-14 ] [ 4.213724512704e-14 -3.156287942976e-14 6.536880612864e-14 ] [ 4.72642103136e-14 -4.662333966527999e-14 -3.492745033344e-14 ] [ -8.299274895744e-14 3.12424441056e-14 1.16157805008e-13 ] [ -1.858524880128e-14 2.707678489152e-14 -6.889359469439999e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.556674 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.652671600100722e-18 } }