{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1076607 -6.7686418 -15.7687769 ] [ -8.4251677 2.1622399 -2.2984073 ] [ -5.8828366 -9.4089005 10.1366575 ] [ -0.8571716 14.5157178 -1.9373154 ] [ 5.8300958 -6.260531 2.9318458 ] [ 8.4448119 2.1994461 -5.2268758 ] [ 0.9979288 3.5606695 12.1628721 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.724914565189625e-10 -1.084455964652963e-08 -2.52643656877911e-08 ] [ -1.349860671525931e-08 3.46429021634093e-09 -3.682454441136052e-09 ] [ -9.425343264506562e-09 -1.507472040853343e-08 1.624071565955698e-08 ] [ -1.373340297533729e-09 2.325674369329041e-08 -3.103921440995801e-09 ] [ 9.340843187784272e-09 -1.003047640199365e-08 4.697334796550673e-09 ] [ 1.353008019323363e-08 3.523901120129739e-09 -8.374378206585298e-09 ] [ 1.598858192582999e-09 5.704821427295626e-09 1.94870693204006e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.5696736 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.117070965006971e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.485579 1.9465692 0.1480096 ] [ 1.0101124 2.6188021 1.958168 ] [ 1.9914669 1.5014677 3.9394225 ] [ 2.7960324 4.443681 2.4874113 ] [ 4.1857327 1.0489363 3.0794239 ] [ 4.3453365 2.8089473 1.4558273 ] [ 2.6352399 3.6862654 4.7908913 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.485579e-10 1.9465692e-10 1.480096e-11 ] [ 1.0101124e-10 2.6188021e-10 1.958168e-10 ] [ 1.9914669e-10 1.5014677e-10 3.9394225e-10 ] [ 2.7960324e-10 4.443681e-10 2.4874113e-10 ] [ 4.1857327e-10 1.0489363e-10 3.0794239e-10 ] [ 4.3453365e-10 2.8089473e-10 1.4558273e-10 ] [ 2.6352399e-10 3.6862654e-10 4.7908913e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.9e-06 -3.59e-05 9.9e-06 ] [ -7e-06 2.27e-05 1.65e-05 ] [ 2.07e-05 2.43e-05 -1.75e-05 ] [ -1.04e-05 -1.69e-05 9.4e-06 ] [ -2.68e-05 9.6e-06 -1.64e-05 ] [ 1.93e-05 1.63e-05 4.4e-06 ] [ -4.6e-06 -2.02e-05 -6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.425937192512e-14 -5.751814068672e-14 1.586154854592e-14 ] [ -1.12152363456e-14 3.636940929216e-14 2.64359142432e-14 ] [ 3.316505605055999e-14 3.893289188544e-14 -2.8038090864e-14 ] [ -1.666263685632e-14 -2.707678489152e-14 1.506046023552e-14 ] [ -4.293833343744e-14 1.538089555968e-14 -2.627569658112e-14 ] [ 3.092200878144e-14 2.611547891904e-14 7.04957713152e-15 ] [ -7.370012455680001e-15 -3.236396774016e-14 -1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }