{ "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" [ [ 0.6852315 0.2393985 0.4264483 ] [ 0.2220788 0.5090328 2.375346 ] [ 0.2247887 2.304208 0.7234447 ] [ 2.310751 0.3633962 2.825111 ] [ 2.727094 1.886457 0.3477298 ] [ 2.582747 2.923748 2.275544 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.852315e-11 2.393985e-11 4.264483e-11 ] [ 2.220788e-11 5.090328e-11 2.375346e-10 ] [ 2.247887e-11 2.304208e-10 7.234447000000001e-11 ] [ 2.310751e-10 3.633962e-11 2.825111e-10 ] [ 2.727094e-10 1.886457e-10 3.477298e-11 ] [ 2.582747e-10 2.923748e-10 2.275544e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9780874 -6.5606175 -8.7988264 ] [ -4.4720868 -2.3057619 7.332955 ] [ -4.3205281 7.3198878 -2.1285291 ] [ 4.2255463 -0.973388 5.0450255 ] [ 4.1333335 0.6785728 -4.2254266 ] [ 1.4118225 1.8413068 2.7748016 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.567068765379058e-09 -1.051126797651134e-08 -1.409727394855783e-08 ] [ -7.165072917148285e-09 -3.694237809311387e-09 1.174868906237846e-08 ] [ -6.922249111329444e-09 1.172775310003915e-08 -3.410279560712466e-09 ] [ 6.770071491967944e-09 -1.55953949656727e-09 8.08302190743983e-09 ] [ 6.622330299669436e-09 1.087193475670794e-09 -6.769879711426433e-09 ] [ 2.261989002219408e-09 2.950098706680061e-09 4.445722250878434e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.1463479 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.438828425483177e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1326637 -0.1297305 0.0022241 ] [ 0.0827782 0.4152214 2.080404 ] [ 0.0311416 2.8642467 1.7475647 ] [ 2.1600913 0.7902169 3.3669986 ] [ 2.8501204 1.5337333 -0.1250777 ] [ 2.4958958 2.7525527 1.90151 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1326637e-10 -1.297305e-11 2.2241e-13 ] [ 8.27782e-12 4.152214e-11 2.080404e-10 ] [ 3.11416e-12 2.8642467e-10 1.7475647e-10 ] [ 2.1600913e-10 7.902169000000001e-11 3.3669986e-10 ] [ 2.8501204e-10 1.5337333e-10 -1.250777e-11 ] [ 2.4958958e-10 2.7525527e-10 1.90151e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 -2.19e-05 1.27e-05 ] [ 5.6e-06 4e-07 -1.85e-05 ] [ 1.12e-05 5e-06 -6.5e-06 ] [ 2e-06 -2.5e-06 -7.2e-06 ] [ -1.88e-05 1.74e-05 1.5e-05 ] [ 5.7e-06 1.6e-06 4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 -3.508766799552e-14 2.034764308416e-14 ] [ 8.972189076479999e-15 6.408706483200001e-16 -2.96402674848e-14 ] [ 1.794437815296e-14 8.010883104e-15 -1.04141480352e-14 ] [ 3.2043532416e-15 -4.005441552e-15 -1.153567166976e-14 ] [ -3.012092047104e-14 2.787787320192e-14 2.4032649312e-14 ] [ 9.13240673856e-15 2.56348259328e-15 7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.9625962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.435966209331092e-18 } }