{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9980795 -0.1898785 -1.1862382 ] [ -1.3968475 0.4082896 1.7505986 ] [ -3.6502718 -0.339188 1.6976283 ] [ -1.8262304 -5.3805232 -1.4133375 ] [ 0.2972904 1.14055 0.7534721 ] [ 4.8877627 3.7617691 -2.4986345 ] [ 2.6863762 0.598981 0.8965112 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.599099653774403e-09 -3.04218895998969e-10 -1.900563126398219e-09 ] [ -2.237996425761315e-09 6.541520570252064e-10 2.804768172433112e-09 ] [ -5.848380185709121e-09 -5.434390881331919e-10 2.719900395477142e-09 ] [ -2.925943675180473e-09 -8.620548549734908e-09 -2.264416318455975e-09 ] [ 4.763117323925136e-10 1.8273625599087e-09 1.207195392990911e-09 ] [ 7.83105919047675e-09 6.027018554523209e-09 -4.003253812806273e-09 ] [ 4.304049177773711e-09 9.596733624099538e-10 1.436369296759301e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.688082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.154378494867599e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2193589 0.7716665 3.654693 ] [ 1.4832624 3.0469333 4.2564432 ] [ 1.7150943 4.6476554 2.4599997 ] [ 3.1928145 2.6676137 2.3522524 ] [ 3.7876154 2.262695 4.8371382 ] [ 4.0584399 5.0079212 2.0779082 ] [ 5.3178996 3.4214895 3.3678873 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2193589e-10 7.716665000000001e-11 3.654693e-10 ] [ 1.4832624e-10 3.0469333e-10 4.2564432e-10 ] [ 1.7150943e-10 4.6476554e-10 2.4599997e-10 ] [ 3.1928145e-10 2.6676137e-10 2.3522524e-10 ] [ 3.7876154e-10 2.262695e-10 4.8371382e-10 ] [ 4.0584399e-10 5.0079212e-10 2.0779082e-10 ] [ 5.3178996e-10 3.4214895e-10 3.3678873e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 1.15e-05 -7.3e-06 ] [ 1.2e-05 1.15e-05 -1.6e-06 ] [ -5.2e-06 -1.14e-05 -1.91e-05 ] [ 1.5e-06 -1.7e-06 1.38e-05 ] [ 1.78e-05 6.3e-06 -1.07e-05 ] [ -1e-05 -3.8e-06 2.6e-05 ] [ -1.3e-05 -1.25e-05 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.9667475654e-15 1.8425031291e-14 -1.16958894282e-14 ] [ 1.9226119608e-14 1.8425031291e-14 -2.5634826144e-15 ] [ -8.331318496799998e-15 -1.82648136276e-14 -3.06015737094e-14 ] [ 2.403264951e-15 -2.7237002778e-15 2.21100375492e-14 ] [ 2.851874408519999e-14 1.00937127942e-14 -1.71432899838e-14 ] [ -1.602176634e-14 -6.088271209199999e-15 4.165659248399999e-14 ] [ -2.082829624199999e-14 -2.0027207925e-14 -1.602176634e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.879166 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505428853660724e-18 } }