{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9201377 -2.3936439 -6.3351506 ] [ -0.1053464 -0.1822648 0.1870813 ] [ -5.2981818 -3.9882155 1.7047218 ] [ -2.0894968 1.3184007 -0.6446823 ] [ 5.7486482 -4.0667619 4.6445157 ] [ 1.755919 4.7787558 -3.0595194 ] [ 1.9085954 4.5337297 3.5030335 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.076399731656684e-09 -3.835040295100533e-09 -1.015003018056709e-08 ] [ -1.687835391654451e-10 -2.920204013547879e-10 2.99737285048871e-10 ] [ -8.488623012708061e-09 -6.389825632812183e-09 2.731265412928093e-09 ] [ -3.347742922196414e-09 2.112310778386355e-09 -1.032894908903572e-09 ] [ 9.210349747244002e-09 -6.515670838540188e-09 7.441334469478547e-09 ] [ 2.813292369818515e-09 7.656410819272401e-09 -4.901890453564044e-09 ] [ 3.057906928446425e-09 7.263835730366598e-09 5.612478375579197e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.037781 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.608229804291045e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1312175 1.7052497 1.4894175 ] [ 1.7456106 3.1417398 4.8802608 ] [ 1.5054044 1.2297257 3.3093162 ] [ 0.9151263 3.5614072 2.6799299 ] [ 3.9617004 1.2855425 3.6897372 ] [ 3.0597397 3.9313924 1.990358 ] [ 3.858626 3.5276537 4.1069683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1312175e-10 1.7052497e-10 1.4894175e-10 ] [ 1.7456106e-10 3.1417398e-10 4.8802608e-10 ] [ 1.5054044e-10 1.2297257e-10 3.3093162e-10 ] [ 9.151263e-11 3.5614072e-10 2.6799299e-10 ] [ 3.9617004e-10 1.2855425e-10 3.6897372e-10 ] [ 3.0597397e-10 3.9313924e-10 1.990358e-10 ] [ 3.858626e-10 3.5276537e-10 4.1069683e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.55e-05 -4.8e-06 6.52e-05 ] [ -2.43e-05 -3.7e-05 -9.29e-05 ] [ 1.11e-05 4.06e-05 -4.7e-06 ] [ 3.6e-05 -2.8e-05 5.28e-05 ] [ -3.19e-05 4.58e-05 -2.66e-05 ] [ -7.3e-06 -1.07e-05 1.46e-05 ] [ 3.19e-05 -5.8e-06 -8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.48337376224e-14 -7.69044777984e-15 1.0446191567616e-13 ] [ -3.893289188544e-14 -5.92805349696e-14 -1.4884220807232e-13 ] [ 1.778416049088e-14 6.504837080448e-14 -7.53023011776e-15 ] [ 5.76783583488e-14 -4.48609453824e-14 8.459492557824e-14 ] [ -5.110943420352001e-14 7.337968923264e-14 -4.261789811328e-14 ] [ -1.169588933184e-14 -1.714328984256e-14 2.339177866368e-14 ] [ 5.110943420352001e-14 -9.292624400640001e-15 -1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }