{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.3097682 -0.6250585 2.7372219 ] [ -0.5224671 1.1763623 -0.1748146 ] [ 4.0020443 -3.5139517 3.7723444 ] [ -4.3866128 7.556195 4.1891403 ] [ 3.1710455 3.7278485 -1.6500218 ] [ -6.3202951 -8.1500732 1.134902 ] [ -1.253483 -0.1713223 -10.0087721 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.507186471907298e-09 -1.001454115332317e-09 4.385512934121756e-09 ] [ -8.370845727571757e-10 1.884740174650516e-09 -2.800838650945037e-10 ] [ 6.411981812865902e-09 -5.629971260360415e-09 6.043962003285804e-09 ] [ -7.028128472662026e-09 1.210635897120586e-08 6.711742649911098e-09 ] [ 5.080574963593046e-09 5.972671712584349e-09 -2.643626351770334e-09 ] [ -1.01262290457768e-08 -1.305785673884864e-08 1.818313451299162e-09 ] [ -2.008301157170246e-09 -2.744885836816838e-10 -1.603582066153532e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4941396 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.360911188093147e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8330931 3.656517 0.7130354 ] [ 0.9805363 0.0804631 4.429466 ] [ 2.32983 4.9500597 2.4285814 ] [ 4.4098861 2.2782866 1.4169155 ] [ 3.1125477 0.5833292 4.5431505 ] [ 4.3036793 2.2067926 3.6284547 ] [ 3.5990527 4.2489419 4.1062195 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8330931e-10 3.656517e-10 7.130354e-11 ] [ 9.805363e-11 8.04631e-12 4.429466e-10 ] [ 2.32983e-10 4.9500597e-10 2.4285814e-10 ] [ 4.4098861e-10 2.2782866e-10 1.4169155e-10 ] [ 3.1125477e-10 5.833292e-11 4.543150500000001e-10 ] [ 4.3036793e-10 2.2067926e-10 3.6284547e-10 ] [ 3.5990527e-10 4.2489419e-10 4.1062195e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1544783 -0.0346603 -0.3948092 ] [ -0.2254179 -0.2568513 0.1363915 ] [ 0.4381507 0.0960977 0.8240342 ] [ -0.0456454 -0.0621474 -0.2309563 ] [ 0.5286674 0.4450078 -0.2194386 ] [ -0.1743557 -0.9179456 0.4059981 ] [ -0.6758774 0.730499 -0.5212197 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.475015206809286e-10 -5.553192232991424e-11 -6.325540699167514e-10 ] [ -3.611592892898323e-10 -4.115211478820871e-10 2.185232725758432e-10 ] [ 7.019948079271546e-10 1.539654882526522e-10 1.320248329979632e-09 ] [ -7.313199272706433e-11 -9.957111132350592e-11 -3.700327842864711e-10 ] [ 8.470185484591219e-10 7.129810932336423e-10 -3.515793946210829e-10 ] [ -2.793486262432185e-10 -1.470710979486228e-09 6.504806639092205e-10 ] [ -1.08287496880709e-09 1.170388419317779e-09 -8.350860176403897e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.844316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538539266776737e-18 } }