{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.9225574 -4.7998138 -0.4852825 ] [ 2.6417666 -18.2006851 -5.6886338 ] [ 0.3161095 -2.2881612 5.2201992 ] [ 0.0642879 0.1760247 2.1626171 ] [ 11.6022804 6.9587503 -0.3337838 ] [ -5.1969229 7.027308 -16.1433794 ] [ -2.5049641 11.1265771 15.2682632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.109115962242603e-08 -7.690149454553206e-09 -7.77508275983376e-10 ] [ 4.232576684130306e-09 -2.916071214976291e-08 -9.114196078652663e-09 ] [ 5.064632505127776e-10 -3.666038379261673e-09 8.363681114158863e-09 ] [ 1.030005703803283e-10 2.820226590233338e-10 3.464894557362296e-09 ] [ 1.858890240484607e-08 1.114914704064499e-08 -5.347806007617831e-10 ] [ -8.326388370480137e-09 1.125898858476081e-08 -2.586454505538433e-08 ] [ -4.013394916963313e-09 1.782674169914867e-08 2.4462454339261e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.4689404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.19665616910286e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6771626 2.8291614 2.6793863 ] [ 4.28772 1.4110983 0.9756841 ] [ 5.7122064 2.0899904 4.2589727 ] [ 3.8494522 1.1723671 4.1566986 ] [ 6.0121365 3.4660427 2.716963 ] [ 3.8761518 3.3196127 0.4581087 ] [ 2.8571066 4.2500297 3.4835546 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6771626e-10 2.8291614e-10 2.6793863e-10 ] [ 4.28772e-10 1.4110983e-10 9.756841e-11 ] [ 5.712206400000001e-10 2.0899904e-10 4.2589727e-10 ] [ 3.8494522e-10 1.1723671e-10 4.156698600000001e-10 ] [ 6.012136500000001e-10 3.4660427e-10 2.716963e-10 ] [ 3.8761518e-10 3.3196127e-10 4.581087e-11 ] [ 2.8571066e-10 4.2500297e-10 3.4835546e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.5726892 0.1632751 0.3392719 ] [ -1.0003481 -0.4328689 -1.6095192 ] [ 1.4976021 -0.5222806 1.0975443 ] [ 2.3912129 1.4697347 -0.8768842 ] [ -1.4324563 -1.6516324 2.0641331 ] [ 0.5056355 -0.2281189 -0.750104 ] [ -1.3889569 1.2018911 -0.2644419 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.175492472246554e-10 2.615955479787821e-10 5.435735062743955e-10 ] [ -1.602734338481701e-09 -6.935324314514131e-10 -2.57873403296872e-09 ] [ 2.399423071880984e-09 -8.367857668173964e-10 1.758459817752301e-09 ] [ 3.831145403735369e-09 2.354774575118502e-09 -1.404923364388912e-09 ] [ -2.295047994177671e-09 -2.646206817435794e-09 3.307105795039428e-09 ] [ 8.101173767465184e-10 -3.654867683426131e-10 -1.201799091968563e-09 ] [ -2.225354272478843e-09 1.925641821167595e-09 -4.236826297399316e-10 ] ] } "relaxed-potential-energy" { "source-value" -22.22385 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.560653289416608e-18 } }