{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.18156 2.402287 4.241396 ] [ 0.8961477 3.559566 3.04631 ] [ 5.464384 2.707991 2.659357 ] [ 3.611912 1.298545 2.707748 ] [ 3.448769 3.905478 2.40265 ] [ 4.321729 3.291274 4.492065 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.18156e-10 2.402287e-10 4.241396e-10 ] [ 8.961477e-11 3.559566e-10 3.04631e-10 ] [ 5.464384e-10 2.707991e-10 2.659357e-10 ] [ 3.611912e-10 1.298545e-10 2.707748e-10 ] [ 3.448769e-10 3.905478e-10 2.40265e-10 ] [ 4.321729000000001e-10 3.291274e-10 4.492065e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8129414 -1.4323849 1.4787668 ] [ 1.2370665 1.625858 -1.6470324 ] [ 13.9646459 -2.7631317 -4.7784289 ] [ -0.19671 3.0721505 6.0894972 ] [ -11.3549963 5.6613415 -5.1026611 ] [ -1.8370647 -6.1638333 3.9598585 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.904652325960421e-09 -2.294933598766946e-09 2.36924559457523e-09 ] [ 1.981999024674883e-09 2.604911676340646e-09 -2.638836804980114e-09 ] [ 2.237382917873058e-08 -4.42702500993136e-09 -7.65588706773506e-09 ] [ -3.15164163077568e-10 4.92212770667903e-09 9.756450046267061e-09 ] [ -1.81927096011305e-08 9.070468993664804e-09 -8.17536431828561e-09 ] [ -2.943302113236966e-09 -9.875549607768512e-09 6.344392710376158e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.303199 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.772278090284994e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0141222 2.3074617 4.3082214 ] [ 0.8748059 3.8898161 2.9391237 ] [ 5.685051 2.8796482 2.445498 ] [ 3.77346 1.2703093 2.8940357 ] [ 3.2380341 3.6794929 2.3801944 ] [ 4.3390284 3.1384127 4.5824529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0141222e-10 2.3074617e-10 4.3082214e-10 ] [ 8.748059000000001e-11 3.8898161e-10 2.9391237e-10 ] [ 5.685051e-10 2.8796482e-10 2.445498e-10 ] [ 3.77346e-10 1.2703093e-10 2.8940357e-10 ] [ 3.2380341e-10 3.6794929e-10 2.3801944e-10 ] [ 4.3390284e-10 3.1384127e-10 4.5824529e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.39e-05 2.72e-05 -3.83e-05 ] [ -1.53e-05 2.74e-05 -2.87e-05 ] [ 1.27e-05 -1.31e-05 -3.92e-05 ] [ 4.07e-05 1.61e-05 1.34e-05 ] [ -4.43e-05 -4.55e-05 9.82e-05 ] [ -1.78e-05 -1.21e-05 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.829202123712e-14 4.357920408576e-14 -6.136336457664001e-14 ] [ -2.451330229824e-14 4.389963940992e-14 -4.598246901696e-14 ] [ 2.034764308416e-14 -2.098851373248e-14 -6.280532353535999e-14 ] [ 6.520858846656e-14 2.579504359488e-14 2.146916671872e-14 ] [ -7.097642430144e-14 -7.28990362464e-14 1.5733374416256e-13 ] [ -2.851874385024e-14 -1.938633711168e-14 -8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.686014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.474482462914149e-18 } }