{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9914019 -3.0226137 1.3092141 ] [ -0.1016095 0.3248896 -1.547118 ] [ 3.4054955 -2.3018613 2.2814239 ] [ -0.8362058 0.7957985 -4.606605 ] [ 2.5237216 4.2037869 2.563085 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.9971074291967e-09 -4.842761003849785e-09 2.097592222641713e-09 ] [ -1.627963653511776e-10 5.205305214610637e-10 -2.478756289218855e-09 ] [ 5.456205272339606e-09 -3.687988359184295e-09 3.655244034714357e-09 ] [ -1.339749382937361e-09 1.275009751567709e-09 -7.380594832260385e-09 ] [ 4.04344774492797e-09 6.735209090005307e-09 4.106514864123168e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.184531 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.952177070361284e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4272261 0.3007428 2.3778909 ] [ 0.026935 1.7354047 0.5562331 ] [ 2.7337554 0.6792553 2.3751006 ] [ 2.2792031 2.3084686 0.3066476 ] [ 3.585283 2.9235878 2.2299362 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.272261e-11 3.007428e-11 2.3778909e-10 ] [ 2.6935e-12 1.7354047e-10 5.562331000000001e-11 ] [ 2.7337554e-10 6.792553000000001e-11 2.3751006e-10 ] [ 2.2792031e-10 2.3084686e-10 3.066476e-11 ] [ 3.585283e-10 2.9235878e-10 2.2299362e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.23e-05 2.15e-05 -6.6e-06 ] [ 4.68e-05 1.55e-05 1.77e-05 ] [ -3.04e-05 -8e-05 2.1e-05 ] [ -2.54e-05 1e-06 -2.38e-05 ] [ -2.32e-05 4.2e-05 -8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.175030485184e-14 3.44467973472e-14 -1.057436569728e-14 ] [ 7.498186585344001e-14 2.48337376224e-14 2.835852618816e-14 ] [ -4.870616927232e-14 -1.28174129664e-13 3.36457090368e-14 ] [ -4.069528616832e-14 1.6021766208e-15 -3.813180357504e-14 ] [ -3.717049760256e-14 6.72914180736e-14 -1.345828361472e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.844323 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.378322726220372e-18 } }