{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1154509 -0.7128903 -3.9038624 ] [ -6.3756621 -3.0058475 5.622443 ] [ -1.466737 3.3262972 -2.2565303 ] [ 0.7539588 -2.7296825 -3.2619251 ] [ 5.0324531 1.9225525 -6.7844907 ] [ 2.3242166 -3.0722713 3.9097662 ] [ 1.8472214 4.2718419 6.6745994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.38932600235427e-09 -1.14217618126525e-09 -6.254677119631161e-09 ] [ -1.021493684289937e-08 -4.815898629867314e-09 9.008146800596861e-09 ] [ -2.349971749623258e-09 5.329315651579624e-09 -3.61536012057301e-09 ] [ 1.207975172358679e-09 -4.373433519738705e-09 -5.226180177078113e-09 ] [ 8.062878768520864e-09 3.080268693138285e-09 -1.08699524731303e-08 ] [ 3.723805528874924e-09 -4.922321290168804e-09 6.264136050042971e-09 ] [ 2.959574964904768e-09 6.844245276322164e-09 1.069388719999042e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.845251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.897818437606513e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0494961 1.970488 1.4104324 ] [ 1.1491274 1.4205644 4.1037413 ] [ 2.4499385 3.8997923 2.6467264 ] [ 3.4302357 0.3525711 2.2283257 ] [ 4.9585191 3.1947063 1.3910301 ] [ 4.4769315 1.1970835 4.0194916 ] [ 3.8718367 3.3306106 4.3341245 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0494961e-10 1.970488e-10 1.4104324e-10 ] [ 1.1491274e-10 1.4205644e-10 4.1037413e-10 ] [ 2.4499385e-10 3.8997923e-10 2.6467264e-10 ] [ 3.4302357e-10 3.525711e-11 2.2283257e-10 ] [ 4.9585191e-10 3.1947063e-10 1.3910301e-10 ] [ 4.4769315e-10 1.1970835e-10 4.0194916e-10 ] [ 3.8718367e-10 3.3306106e-10 4.3341245e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.27e-05 2.09e-05 -2.83e-05 ] [ 6.22e-05 -8.2e-06 2.27e-05 ] [ 2.17e-05 -1.61e-05 1.61e-05 ] [ -2.82e-05 -3.21e-05 -7.3e-06 ] [ 3.03e-05 4.45e-05 -3.49e-05 ] [ -3.88e-05 6e-06 6.01e-05 ] [ -3.46e-05 -1.5e-05 -2.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.03476432518e-14 3.34854916506e-14 -4.53415987422e-14 ] [ 9.965538663479998e-14 -1.31378483988e-14 3.636940959179999e-14 ] [ 3.476723295779999e-14 -2.579504380739999e-14 2.579504380739999e-14 ] [ -4.51813810788e-14 -5.14298699514e-14 -1.16958894282e-14 ] [ 4.854595201019999e-14 7.129686021299999e-14 -5.59159645266e-14 ] [ -6.21644533992e-14 9.613059803999999e-15 9.629081570339999e-14 ] [ -5.54353115364e-14 -2.403264951e-14 -4.550181640559999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.483375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.801145490845975e-18 } }