{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.096068 2.7039 2.040826 ] [ 2.700744 4.841018 2.002574 ] [ 4.164753 1.488214 0.9121723 ] [ 3.472077 2.802445 4.029704 ] [ 4.572692 3.360808 2.141211 ] [ 3.154153 3.397307 0.264031 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.096068e-10 2.7039e-10 2.040826e-10 ] [ 2.700744e-10 4.841018000000001e-10 2.002574e-10 ] [ 4.164753e-10 1.488214e-10 9.121723000000001e-11 ] [ 3.472077e-10 2.802445e-10 4.029704e-10 ] [ 4.572692e-10 3.360808e-10 2.141211e-10 ] [ 3.154153e-10 3.397307e-10 2.64031e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.880825 -4.2511462 2.3221278 ] [ 0.5777577 2.1865779 2.4640225 ] [ -0.5785182 -2.1743378 0.6123169 ] [ -1.3690181 1.0432749 -0.3209354 ] [ 1.8899711 1.1658255 0.3626513 ] [ 0.3606326 2.0298057 -5.4401831 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.41123722201616e-09 -6.811087053242761e-09 3.720458871669738e-09 ] [ 9.256698794271802e-10 3.503283990937961e-09 3.947799242625168e-09 ] [ -9.268883347472986e-10 -3.483673188881707e-09 9.810398217007315e-10 ] [ -2.193408793272037e-09 1.671510653847458e-09 -5.141951946670963e-10 ] [ 3.028067510407659e-09 1.86785836003247e-09 5.81031434362727e-10 ] [ 5.777971204183182e-10 3.252107237306578e-09 -8.716134175691268e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.479319 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.441366273250524e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3095077 2.3462922 2.0856336 ] [ 2.7247995 4.7553942 2.2340158 ] [ 4.0313675 1.3747103 0.6979983 ] [ 3.2583857 3.2980421 4.092649 ] [ 4.6409758 3.2348906 2.1130674 ] [ 3.1954509 3.5843626 0.1671542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3095077e-10 2.3462922e-10 2.0856336e-10 ] [ 2.7247995e-10 4.7553942e-10 2.2340158e-10 ] [ 4.0313675e-10 1.3747103e-10 6.979983e-11 ] [ 3.2583857e-10 3.2980421e-10 4.092649e-10 ] [ 4.6409758e-10 3.2348906e-10 2.1130674e-10 ] [ 3.1954509e-10 3.5843626e-10 1.671542e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.8e-06 -2.71e-05 4.2e-06 ] [ 3.32e-05 4.3e-06 3.89e-05 ] [ -1.08e-05 5.64e-05 -4.7e-06 ] [ -3.35e-05 1.96e-05 5.5e-06 ] [ 1.36e-05 -6.9e-06 -3.7e-06 ] [ -8.3e-06 -4.63e-05 -4.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.292624400640001e-15 -4.341898642368e-14 6.72914180736e-15 ] [ 5.319226381056e-14 6.889359469440001e-15 6.232467054911999e-14 ] [ -1.730350750464e-14 9.036276141312001e-14 -7.53023011776e-15 ] [ -5.36729167968e-14 3.140266176767999e-14 8.8119714144e-15 ] [ 2.178960204288e-14 -1.105501868352e-14 -5.928053496960001e-15 ] [ -1.329806595264e-14 -7.418077754303999e-14 -6.440750015616e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.902638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.829624777904567e-18 } }