{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6470099 -0.9923729 -1.6841257 ] [ -1.6532122 0.72262 -0.6058244 ] [ -0.3856562 0.9073416 1.3308346 ] [ -0.2577708 -0.3067641 0.365749 ] [ 2.1173891 -0.6465836 0.7800685 ] [ 1.0881067 1.0405566 0.643361 ] [ -0.2618468 -0.7247976 -0.8300631 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.036624135206146e-09 -1.589956659495497e-09 -2.698266823028435e-09 ] [ -2.648737936061334e-09 1.157764869722496e-09 -9.706376899901877e-10 ] [ -6.178893473065689e-10 1.453721498599265e-09 2.13223208227172e-09 ] [ -4.129943492849127e-10 -4.914902691207533e-10 5.859944968809792e-10 ] [ 3.392431313156754e-09 -1.035941127312699e-09 1.249807513322525e-09 ] [ 1.743339115675839e-09 1.667155457139137e-09 1.030777952934509e-09 ] [ -4.195248211912934e-10 -1.16125376953195e-09 -1.329907692608773e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.198115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.71674774996298e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5567208 2.710426 1.2764635 ] [ 1.2932076 1.7913901 3.0943234 ] [ 2.027533 4.0663679 3.2702571 ] [ 4.388377 1.4307768 2.1443471 ] [ 3.2398576 0.9921919 4.1544809 ] [ 4.3729316 3.7930932 2.550429 ] [ 3.6899974 3.220144 4.7755219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5567208e-10 2.710426e-10 1.2764635e-10 ] [ 1.2932076e-10 1.7913901e-10 3.0943234e-10 ] [ 2.027533e-10 4.066367900000001e-10 3.2702571e-10 ] [ 4.388377e-10 1.4307768e-10 2.1443471e-10 ] [ 3.2398576e-10 9.921919e-11 4.1544809e-10 ] [ 4.372931600000001e-10 3.7930932e-10 2.550429e-10 ] [ 3.6899974e-10 3.220144e-10 4.7755219e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.36e-05 2.13e-05 3.21e-05 ] [ -1.22e-05 1.18e-05 -1.78e-05 ] [ -2.64e-05 -4.13e-05 -2.28e-05 ] [ 1.32e-05 -2.54e-05 -2.6e-06 ] [ -8.3e-06 -2.58e-05 1.19e-05 ] [ 5.14e-05 3.84e-05 -4.8e-06 ] [ 1.59e-05 2.11e-05 4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.383313445888e-14 3.412636202304e-14 5.142986952768e-14 ] [ -1.954655477376e-14 1.890568412544e-14 -2.851874385024e-14 ] [ -4.229746278912e-14 -6.616989443904001e-14 -3.652962695424e-14 ] [ 2.114873139456e-14 -4.069528616832e-14 -4.16565921408e-15 ] [ -1.329806595264e-14 -4.133615681664e-14 1.906590178752e-14 ] [ 8.235187830912e-14 6.152358223872e-14 -7.69044777984e-15 ] [ 2.547460827072e-14 3.380592669888e-14 6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }