{ "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" [ [ 10.7884271 -19.3190528 -22.5906644 ] [ -25.6993243 23.1890778 23.9727522 ] [ -9.0422292 -11.7287705 13.0731389 ] [ 3.628284 -2.1685149 -20.8671899 ] [ 6.1475639 7.535208 11.6802681 ] [ 10.3114481 -6.9589231 -12.4458989 ] [ 3.8658303 9.4509755 7.1775941 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.728496581723238e-08 -3.095253498717227e-08 -3.619423464821563e-08 ] [ -4.11748569030484e-08 3.715299861516812e-08 3.840858342751209e-08 ] [ -1.448724834351251e-08 -1.87915620406485e-08 2.094547767861646e-08 ] [ 5.813151846316054e-09 -3.474343903260846e-09 -3.34329240750208e-08 ] [ 9.849483236601911e-09 1.207273418992987e-08 1.871385262867557e-08 ] [ 1.652076120852369e-08 -1.114942398862284e-08 -1.99405284067063e-08 ] [ 6.19374297766921e-09 1.514213211460647e-08 1.149977355535626e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4368153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.19150917050337e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.529627 1.3397513 1.4403988 ] [ 1.4242397 3.0797985 3.1282295 ] [ 2.432424 1.5464269 4.9130876 ] [ 2.6092006 3.8322104 0.7411556 ] [ 4.3539908 3.2068506 5.4212144 ] [ 4.4198733 1.6369242 3.1410029 ] [ 3.8400626 4.2635211 3.0469574 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.529627e-10 1.3397513e-10 1.4403988e-10 ] [ 1.4242397e-10 3.0797985e-10 3.1282295e-10 ] [ 2.432424e-10 1.5464269e-10 4.9130876e-10 ] [ 2.6092006e-10 3.8322104e-10 7.411556000000001e-11 ] [ 4.3539908e-10 3.2068506e-10 5.421214400000001e-10 ] [ 4.4198733e-10 1.6369242e-10 3.1410029e-10 ] [ 3.8400626e-10 4.2635211e-10 3.0469574e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.9e-06 1.16e-05 -9.6e-06 ] [ -1.45e-05 7.6e-06 1.61e-05 ] [ -1.4e-06 -9.6e-06 1.76e-05 ] [ 7.7e-06 -1.02e-05 2e-06 ] [ -1.46e-05 8e-06 -3.5e-06 ] [ 9.8e-06 -1.13e-05 -1.59e-05 ] [ 7.1e-06 3.9e-06 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.452842140600001e-15 1.85852489544e-14 -1.53808956864e-14 ] [ -2.3231561193e-14 1.21765424184e-14 2.579504380739999e-14 ] [ -2.2430472876e-15 -1.53808956864e-14 2.81983087584e-14 ] [ 1.23367600818e-14 -1.63422016668e-14 3.204353268e-15 ] [ -2.33917788564e-14 1.2817413072e-14 -5.607618218999999e-15 ] [ 1.57013310132e-14 -1.81045959642e-14 -2.54746084806e-14 ] [ 1.13754541014e-14 6.248488872599999e-15 -1.07345834478e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.43444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.754611219887496e-18 } }