{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.5234649e-10 2.9430133e-10 5.128904000000001e-10 ] [ 1.0232242e-10 4.6670675e-10 2.214787e-10 ] [ 4.2751424e-10 -5.749009000000001e-11 -5.956662000000001e-11 ] [ 6.2993596e-10 1.471289e-10 2.54767e-10 ] [ 5.656426e-10 6.344515e-11 6.166848000000001e-11 ] [ 5.4717167e-10 2.1528858e-10 4.4692411e-10 ] [ 1.7933502e-10 3.8314695e-10 4.0990523e-10 ] ] "source-value" [ [ 3.5234649 2.9430133 5.128904 ] [ 1.0232242 4.6670675 2.214787 ] [ 4.2751424 -0.5749009 -0.5956662 ] [ 6.2993596 1.471289 2.54767 ] [ 5.656426 0.6344515 0.6166848 ] [ 5.4717167 2.1528858 4.4692411 ] [ 1.7933502 3.8314695 4.0990523 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.549805231615053e-10 -1.533412802411885e-10 -1.003806911699962e-10 ] [ -1.681649387721542e-10 4.992206110984513e-11 1.793700814050432e-11 ] [ -2.41279788209376e-11 -4.804687359286081e-11 -1.554957271431782e-10 ] [ 1.655157397296615e-10 -9.512827555402752e-11 -2.058588674767296e-11 ] [ 9.473365945232449e-11 -1.093546426407591e-10 -1.135074844418726e-10 ] [ -4.636774442896378e-10 2.260818612197913e-10 3.664682617405152e-10 ] [ -1.592595604607616e-10 1.298671496991993e-10 5.56451962170048e-12 ] ] "source-value" [ [ 0.3463916 -0.0957081 -0.0626527 ] [ -0.1049603 0.0311589 0.0111954 ] [ -0.0150595 -0.0299885 -0.0970528 ] [ 0.1033068 -0.0593744 -0.0128487 ] [ 0.0591281 -0.0682538 -0.0708458 ] [ -0.2894047 0.1411092 0.2287315 ] [ -0.099402 0.0810567 0.0034731 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.626318037735831e-18 "source-value" -16.392188 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.650274924262389e-09 -2.464544982592359e-09 -9.571018610270208e-11 ] [ 5.839905584507474e-09 -2.569306505296608e-10 1.027834658351502e-08 ] [ -6.088255137273792e-09 9.337832537696128e-09 -2.027396539007589e-09 ] [ -8.70789305980686e-09 -1.861840232165889e-08 3.207237800388088e-09 ] [ 1.452058247005681e-08 2.865120700671788e-09 8.811392227551581e-09 ] [ -1.622414835220959e-09 4.926370751023895e-09 -1.06782452217545e-08 ] [ -5.592200106742717e-09 4.210553965389099e-09 -9.495624664589899e-09 ] ] "source-value" [ [ 1.0300206 -1.538248 -0.0597376 ] [ 3.6449824 -0.1603635 6.4152394 ] [ -3.79999 5.8282167 -1.2654014 ] [ -5.4350394 -11.6206928 2.0018004 ] [ 9.0630348 1.7882677 5.4996385 ] [ -1.0126317 3.0747988 -6.6648365 ] [ -3.4903768 2.6280211 -5.9267028 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.082867662881699e-18 "source-value" -6.7587284 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.690681e-10 1.842727e-10 3.696963e-10 ] [ 2.658202e-10 3.646198e-10 2.018485e-10 ] [ 5.329976000000001e-10 2.810446e-11 1.792372e-10 ] [ 5.111587e-10 2.700534e-10 2.069297e-10 ] [ 3.393505e-10 1.493232e-10 8.693091e-11 ] [ 5.014849e-10 1.504764e-10 3.993476e-10 ] [ 3.843884e-10 3.656776e-10 4.040771000000001e-10 ] ] "source-value" [ [ 2.690681 1.842727 3.696963 ] [ 2.658202 3.646198 2.018485 ] [ 5.329976 0.2810446 1.792372 ] [ 5.111587 2.700534 2.069297 ] [ 3.393505 1.493232 0.8693091 ] [ 5.014849 1.504764 3.993476 ] [ 3.843884 3.656776 4.040771 ] ] } "instance-id" 1 }