{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4522928 -6.2903952 -3.8681383 ] [ -5.1468115 -6.9178696 10.986306 ] [ -7.8582583 7.02121 -5.2733553 ] [ 7.0622883 -1.9618201 -5.8251506 ] [ 3.7612484 -1.5645821 1.678158 ] [ 0.8771187 0.3718741 -0.2742342 ] [ 2.7567072 9.3415828 2.5764145 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.32682957071617e-09 -1.007832412503254e-08 -6.197440750281058e-09 ] [ -8.24610105696458e-09 -1.108364893886305e-08 1.760200262215477e-08 ] [ -1.259031772846755e-08 1.124921851172717e-08 -8.448846574831772e-09 ] [ 1.131503320360938e-08 -3.143182298435518e-09 -9.33292010395909e-09 ] [ 6.026184251501406e-09 -2.506736861942168e-09 2.688705513608486e-09 ] [ 1.405299074806489e-09 5.958079889010412e-10 -4.393716238637913e-10 ] [ 4.41673182623103e-09 1.49668655634274e-08 4.127871077390121e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.4350324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.901351982170514e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5482655 2.1795825 2.1719998 ] [ 2.8555441 1.6320893 4.5211676 ] [ 1.8133638 4.4119856 2.6572547 ] [ 4.9851411 2.5910511 2.001239 ] [ 4.7565374 3.1458397 4.5388919 ] [ 5.1251559 4.9938719 1.6659639 ] [ 3.8037482 5.2686019 3.688639 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5482655e-10 2.1795825e-10 2.1719998e-10 ] [ 2.8555441e-10 1.6320893e-10 4.5211676e-10 ] [ 1.8133638e-10 4.4119856e-10 2.6572547e-10 ] [ 4.9851411e-10 2.5910511e-10 2.001239e-10 ] [ 4.7565374e-10 3.1458397e-10 4.5388919e-10 ] [ 5.1251559e-10 4.993871900000001e-10 1.6659639e-10 ] [ 3.8037482e-10 5.2686019e-10 3.688639e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-05 -1.03e-05 1.56e-05 ] [ -7.7e-06 -3.93e-05 9.6e-06 ] [ 3.32e-05 8e-07 -1.89e-05 ] [ -1.24e-05 3.52e-05 1.78e-05 ] [ -5.8e-06 2.91e-05 -2.48e-05 ] [ -1.42e-05 8.5e-06 2.81e-05 ] [ 3.29e-05 -2.41e-05 -2.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16565921408e-14 -1.650241919424e-14 2.499395528448e-14 ] [ -1.233675998016e-14 -6.296554119743999e-14 1.538089555968e-14 ] [ 5.319226381056e-14 1.28174129664e-15 -3.028113813312e-14 ] [ -1.986699009792e-14 5.639661705216e-14 2.851874385024e-14 ] [ -9.292624400640001e-15 4.662333966527999e-14 -3.973398019584e-14 ] [ -2.275090801536e-14 1.36185012768e-14 4.502116304448e-14 ] [ 5.271161082432e-14 -3.861245656128e-14 -4.4059857072e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }