{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1380359 -8.4353654 -6.8115838 ] [ -10.3523717 8.0338128 3.298872 ] [ -2.6733872 -5.6859368 6.9852158 ] [ 0.6915288 1.1548436 -5.2754197 ] [ 2.0321436 2.0353286 3.1221932 ] [ 6.2540481 -2.9393278 -3.2369024 ] [ 2.9100024 5.8366451 1.917625 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.823334512611087e-09 -1.351494523178524e-08 -1.091336031498002e-08 ] [ -1.658632790757155e-08 1.287158704404379e-08 5.285375593411738e-09 ] [ -4.283238470185974e-09 -9.109875008306366e-09 1.119154944600277e-08 ] [ 1.107951275969879e-09 1.850263416600507e-09 -8.45215410824775e-09 ] [ 3.255852966028347e-09 3.260955898565595e-09 5.002304950660739e-09 ] [ 1.002008965117866e-08 -4.709322282027498e-09 -5.18608934909141e-09 ] [ 4.662337811751891e-09 9.351336323126878e-09 3.0723739424616e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.465456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.958492189561109e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2819248 1.1457691 2.0099657 ] [ 1.137005 3.2975421 2.7485531 ] [ 2.4374321 1.8881088 4.4794706 ] [ 3.1302096 3.3940368 1.1660394 ] [ 4.6584096 2.8543249 5.1073695 ] [ 4.6046605 1.9930268 2.7587879 ] [ 3.3597765 4.3326746 3.5618599 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2819248e-10 1.1457691e-10 2.0099657e-10 ] [ 1.137005e-10 3.2975421e-10 2.7485531e-10 ] [ 2.4374321e-10 1.8881088e-10 4.4794706e-10 ] [ 3.1302096e-10 3.3940368e-10 1.1660394e-10 ] [ 4.6584096e-10 2.8543249e-10 5.1073695e-10 ] [ 4.6046605e-10 1.9930268e-10 2.7587879e-10 ] [ 3.3597765e-10 4.3326746e-10 3.5618599e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 4.1e-06 6.5e-06 ] [ 1.66e-05 7.1e-06 -1.66e-05 ] [ -1.52e-05 -1.22e-05 -1.18e-05 ] [ -3.45e-05 -7.7e-06 3.42e-05 ] [ 7.7e-06 2e-07 3.48e-05 ] [ 3.46e-05 -3.32e-05 -3.44e-05 ] [ -1.18e-05 4.18e-05 -1.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 6.568924145279999e-15 1.04141480352e-14 ] [ 2.659613190528e-14 1.137545400768e-14 -2.659613190528e-14 ] [ -2.435308463616e-14 -1.954655477376e-14 -1.890568412544e-14 ] [ -5.52750934176e-14 -1.233675998016e-14 5.479444043136e-14 ] [ 1.233675998016e-14 3.2043532416e-16 5.575574640383999e-14 ] [ 5.543531107968001e-14 -5.319226381056e-14 -5.511487575552001e-14 ] [ -1.890568412544e-14 6.697098274944e-14 -2.034764308416e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }