{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7528712 0.4321763 0.9291431 ] [ -0.9079357 1.1251362 5.0269396 ] [ -1.1270858 0.6403743 -2.7945863 ] [ -1.3473198 -3.6697607 -3.0731342 ] [ 1.2036935 -1.0002782 -2.3195055 ] [ -2.554405 1.2124885 0.8822856 ] [ 5.485924 1.2598636 1.3488577 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.206232635113641e-09 6.92422763923847e-10 1.488651352197637e-09 ] [ -1.454673351729683e-09 1.802666914855753e-09 8.054045101293704e-09 ] [ -1.805790518395665e-09 1.025992732021165e-09 -4.477420834667975e-09 ] [ -2.158644284300932e-09 -5.879604797470642e-09 -4.923703767820911e-09 ] [ 1.928529584308925e-09 -1.602622346335906e-09 -3.716257483917015e-09 ] [ -4.092607971054624e-09 1.942620727688861e-09 1.4135773611885e-09 ] [ 8.789419176285618e-09 2.018524005316923e-09 2.16110827172606e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.954610085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.274469030668408e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0258882 3.077962 1.431433 ] [ 2.7956805 3.2780176 5.0535149 ] [ 1.0929945 3.2001621 3.5213142 ] [ 2.9930138 1.7273803 3.1988487 ] [ 4.3051339 3.0802757 1.6720162 ] [ 3.0072214 4.6087389 3.0366976 ] [ 4.7808997 3.2038694 3.9105924 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0258882e-10 3.077962e-10 1.431433e-10 ] [ 2.7956805e-10 3.2780176e-10 5.0535149e-10 ] [ 1.0929945e-10 3.2001621e-10 3.5213142e-10 ] [ 2.9930138e-10 1.7273803e-10 3.1988487e-10 ] [ 4.305133900000001e-10 3.0802757e-10 1.6720162e-10 ] [ 3.0072214e-10 4.6087389e-10 3.0366976e-10 ] [ 4.7808997e-10 3.2038694e-10 3.9105924e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.11e-05 2e-06 -3.08e-05 ] [ 4.51e-05 -1.74e-05 -2.45e-05 ] [ -3.4e-06 2.77e-05 2.24e-05 ] [ 1.65e-05 -6.5e-06 -1.2e-06 ] [ -1.23e-05 -1.53e-05 2.77e-05 ] [ 4.6e-05 -5.43e-05 3.59e-05 ] [ -0.0001132 6.39e-05 -2.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.380592669888e-14 3.2043532416e-15 -4.934703992064001e-14 ] [ 7.225816559807999e-14 -2.787787320192e-14 -3.92533272096e-14 ] [ -5.44740051072e-15 4.438029239616e-14 3.588875630592e-14 ] [ 2.64359142432e-14 -1.04141480352e-14 -1.92261194496e-15 ] [ -1.970677243584e-14 -2.451330229824e-14 4.438029239616e-14 ] [ 7.37001245568e-14 -8.699819050944e-14 5.751814068672e-14 ] [ -1.8136639347456e-13 1.0237908606912e-13 -4.72642103136e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }