{ "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" [ [ 0.2245113 0.4062398 2.51204 ] [ 0.3734712 1.938106 1.147246 ] [ 0.9603572 2.15083 2.976354 ] [ 2.053947 0.3264748 1.110732 ] [ 2.246066 2.745531 0.3277405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.245113e-11 4.062398e-11 2.51204e-10 ] [ 3.734712e-11 1.938106e-10 1.147246e-10 ] [ 9.603572000000001e-11 2.15083e-10 2.976354000000001e-10 ] [ 2.053947e-10 3.264748e-11 1.110732e-10 ] [ 2.246066e-10 2.745531e-10 3.277405e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1700599 -15.3209723 3.1349137 ] [ -6.1662266 4.579428 -15.6541919 ] [ 7.147247 11.6911422 14.7795784 ] [ 2.1302155 -1.5828175 -1.4454311 ] [ 2.058824 0.6332195 -0.8148691 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.283349099915585e-09 -2.45469036269844e-08 5.022685438365625e-09 ] [ -9.879384097075073e-09 7.337052478236903e-09 -2.508078027969673e-08 ] [ 1.145115204648294e-08 1.873127470328828e-08 2.367949497776067e-08 ] [ 3.412981471365782e-09 -2.535953193493104e-09 -2.315835915397227e-09 ] [ 3.298599679141939e-09 1.014529478734666e-09 -1.305564221032337e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9006392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.105604279481601e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6177075 0.2306794 2.6636153 ] [ 0.4194459 2.1698113 1.143707 ] [ 0.3704378 2.4350384 3.5200027 ] [ 1.9017984 0.2551321 0.6474065 ] [ 2.5489631 2.4765204 0.099381 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.177075e-11 2.306794e-11 2.6636153e-10 ] [ 4.194459e-11 2.1698113e-10 1.143707e-10 ] [ 3.704378e-11 2.4350384e-10 3.5200027e-10 ] [ 1.9017984e-10 2.551321e-11 6.474065e-11 ] [ 2.5489631e-10 2.4765204e-10 9.9381e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-06 2.7e-06 1.99e-05 ] [ 9e-07 6.9e-06 -1.51e-05 ] [ -4e-07 -1.31e-05 2e-06 ] [ -6.2e-06 -1.69e-05 -2e-07 ] [ 8.4e-06 2.04e-05 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.32587687616e-15 4.32587687616e-15 3.188331475392e-14 ] [ 1.44195895872e-15 1.105501868352e-14 -2.419286697408e-14 ] [ -6.408706483200001e-16 -2.098851373248e-14 3.2043532416e-15 ] [ -9.93349504896e-15 -2.707678489152e-14 -3.2043532416e-16 ] [ 1.345828361472e-14 3.268440306432e-14 -1.073458335936e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.605513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.179843484259047e-18 } }