{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1725727 -4.7253846 -3.9261659 ] [ -6.7434912 -3.1159404 5.4613169 ] [ -0.7595641 8.9648235 -2.6994246 ] [ 5.1904023 0.2219466 -1.5102044 ] [ 1.8821599 3.8723558 3.1118109 ] [ -2.6724718 -2.3232557 3.841582 ] [ 4.2755375 -2.8945452 -4.278915 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.878668566128332e-09 -7.57090073040836e-09 -6.290411214362191e-09 ] [ -1.080426394321054e-08 -4.992286860686201e-09 8.749994255959932e-09 ] [ -1.216955843018993e-09 1.436323062129843e-08 -4.324954983732392e-09 ] [ 8.315941217606549e-09 3.555976535860493e-10 -2.419614182309291e-09 ] [ 3.015552588387266e-09 6.204197930179281e-09 4.985670672330608e-09 ] [ -4.281771837707293e-09 -3.722265966680338e-09 6.154892867286105e-09 ] [ 6.85016622385368e-09 -4.63757264728886e-09 -6.855577575390432e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.868157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.382141353978387e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9321216 1.2318128 1.4141805 ] [ 1.647469 1.5549658 3.5347009 ] [ 2.8198577 3.5888013 2.6742565 ] [ 5.1897512 2.4665985 2.1449954 ] [ 4.5055205 3.1181792 4.4598609 ] [ 3.5613758 0.9206611 4.8917761 ] [ 4.6475882 0.1343458 2.8647396 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9321216e-10 1.2318128e-10 1.4141805e-10 ] [ 1.647469e-10 1.5549658e-10 3.5347009e-10 ] [ 2.8198577e-10 3.5888013e-10 2.6742565e-10 ] [ 5.1897512e-10 2.4665985e-10 2.1449954e-10 ] [ 4.5055205e-10 3.1181792e-10 4.4598609e-10 ] [ 3.5613758e-10 9.206611e-11 4.891776100000001e-10 ] [ 4.647588200000001e-10 1.343458e-11 2.8647396e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.24e-05 -5.5e-06 1.23e-05 ] [ 6.9e-06 1.24e-05 -1.9e-06 ] [ -3.6e-06 -2.6e-06 -1e-05 ] [ 1.27e-05 3.8e-06 -6.4e-06 ] [ -1.29e-05 -1.23e-05 1.39e-05 ] [ 8e-07 5e-06 2e-06 ] [ 8.5e-06 -8e-07 -9.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.986699009792e-14 -8.8119714144e-15 1.970677243584e-14 ] [ 1.105501868352e-14 1.986699009792e-14 -3.04413557952e-15 ] [ -5.76783583488e-15 -4.16565921408e-15 -1.6021766208e-14 ] [ 2.034764308416e-14 6.08827115904e-15 -1.025393037312e-14 ] [ -2.066807840832e-14 -1.970677243584e-14 2.227025502912e-14 ] [ 1.28174129664e-15 8.010883104e-15 3.2043532416e-15 ] [ 1.36185012768e-14 -1.28174129664e-15 -1.586154854592e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }