{ "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" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7043728 -0.2790148 -1.0600971 ] [ -0.5122012 -0.9289139 1.3895296 ] [ -2.0428236 0.4675578 -1.3222789 ] [ 1.3009607 2.6405991 0.5828175 ] [ 0.5496912 -1.9002282 0.4100289 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.128529632487434e-09 -4.470309894171878e-10 -1.69846278939788e-09 ] [ -8.20636787785705e-10 -1.488284133316149e-09 2.226271839029576e-09 ] [ -3.272964212338491e-09 7.491101760326823e-10 -2.118524339757141e-09 ] [ 2.084368818119603e-09 4.230706142925522e-09 9.337765726931041e-10 ] [ 8.807023892994971e-10 -3.044501196224867e-09 6.569387174323411e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -15.160414 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.428966087244901e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3445976 1.8789706 1.2354313 ] [ 0.8978937 1.2832086 3.134754 ] [ 0.6194062 3.4108484 2.0912207 ] [ 2.9164199 3.9115366 2.4991582 ] [ 3.1949205 1.7838809 3.5426467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3445976e-10 1.8789706e-10 1.2354313e-10 ] [ 8.978937e-11 1.2832086e-10 3.134754e-10 ] [ 6.194062e-11 3.4108484e-10 2.0912207e-10 ] [ 2.9164199e-10 3.9115366e-10 2.4991582e-10 ] [ 3.1949205e-10 1.7838809e-10 3.5426467e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.63e-05 -2.11e-05 -2.3e-05 ] [ -2.91e-05 -5.11e-05 2.83e-05 ] [ -6.8e-06 1.31e-05 3.8e-06 ] [ 3.4e-05 8.69e-05 -1.41e-05 ] [ -1.43e-05 -2.78e-05 5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.611547891904e-14 -3.380592669888e-14 -3.68500622784e-14 ] [ -4.662333966527999e-14 -8.187122532288001e-14 4.534159836864e-14 ] [ -1.089480102144e-14 2.098851373248e-14 6.08827115904e-15 ] [ 5.44740051072e-14 1.3922914834752e-13 -2.259069035328e-14 ] [ -2.291112567744e-14 -4.454051005824e-14 8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }