{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.242583 -1.6379162 -0.6802841 ] [ -1.6107127 2.6758163 -1.2179683 ] [ 0.2334291 -1.5326283 -0.1550677 ] [ 2.0146631 -1.4652934 -2.1412803 ] [ 0.8978935 -2.2426091 0.6047928 ] [ 0.2642092 0.6165793 -0.3139641 ] [ 0.4431008 3.5860514 3.9037718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.593014052803527e-09 -2.624231042469577e-09 -1.089935280521969e-09 ] [ -2.580646230765644e-09 4.287130317415559e-09 -1.951400335135521e-09 ] [ 3.739946466343853e-10 -2.455541230636449e-09 -2.484458435812282e-10 ] [ 3.227846117608452e-09 -2.347658828092543e-09 -3.43070923523961e-09 ] [ 1.438583973668285e-09 -3.593055869613329e-09 9.689848845881704e-10 ] [ 4.233098032402713e-10 9.878689393292296e-10 -5.030259407905133e-10 ] [ 7.099257424177768e-10 5.745487714067109e-09 6.254531910898333e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.94375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.195340998108001e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9153267 2.0355145 3.9604853 ] [ 2.5587919 4.8838438 2.5025277 ] [ 2.5076211 2.6501557 1.7693973 ] [ 4.8011814 2.41443 2.3211335 ] [ 4.2127016 1.7994009 4.5131395 ] [ 4.8561664 4.647728 3.0551768 ] [ 3.1691878 3.9940181 4.6868038 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9153267e-10 2.0355145e-10 3.960485300000001e-10 ] [ 2.5587919e-10 4.8838438e-10 2.5025277e-10 ] [ 2.5076211e-10 2.6501557e-10 1.7693973e-10 ] [ 4.8011814e-10 2.41443e-10 2.3211335e-10 ] [ 4.2127016e-10 1.7994009e-10 4.5131395e-10 ] [ 4.8561664e-10 4.647728e-10 3.0551768e-10 ] [ 3.1691878e-10 3.9940181e-10 4.6868038e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 5e-07 3.4e-06 ] [ -3.5e-06 5.2e-06 -8.5e-06 ] [ -7.3e-06 5e-07 9.9e-06 ] [ -2.2e-06 1.24e-05 5.3e-06 ] [ 9e-07 -2.23e-05 4.7e-06 ] [ 9.2e-06 3.4e-06 3.2e-06 ] [ -5e-06 3e-07 -1.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-14 8.010883104e-16 5.44740051072e-15 ] [ -5.6076181728e-15 8.33131842816e-15 -1.36185012768e-14 ] [ -1.169588933184e-14 8.010883104e-16 1.586154854592e-14 ] [ -3.52478856576e-15 1.986699009792e-14 8.491536090240001e-15 ] [ 1.44195895872e-15 -3.572853864384e-14 7.53023011776e-15 ] [ 1.474002491136e-14 5.44740051072e-15 5.126965186560001e-15 ] [ -8.010883104e-15 4.8065298624e-16 -2.867896151232001e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }