{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 14.1490674 -52.9581157 -3.9189883 ] [ 2.7615885 -60.8668532 53.3679251 ] [ -38.503107 112.7857726 -44.0744234 ] [ 12.4070081 -16.4619843 -4.7131344 ] [ 2.8290485 -6.7895464 -4.3215218 ] [ 3.6677791 1.7300021 -5.2537143 ] [ 2.6886154 22.5607249 8.913857 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.266930499440344e-08 -8.484825485616144e-08 -6.278911431448737e-09 ] [ 4.42455253097014e-09 -9.751944917870566e-08 8.550484189582552e-08 ] [ -6.168877786356083e-08 1.807027280185852e-07 -7.061501074672045e-08 ] [ 1.987821831189623e-08 -2.637500637743666e-08 -7.551273746368237e-09 ] [ 4.532635365809309e-09 -1.087805250791681e-08 -6.923841194237534e-09 ] [ 5.876429924278866e-09 2.771768918554904e-09 -8.417378223822638e-09 ] [ 4.307636736202841e-09 3.614626598308041e-08 1.428157328655443e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 24.609533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.942881842140609e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6933401 1.7986078 1.7233798 ] [ 2.3655635 2.2339832 4.52223 ] [ 1.8790865 4.4441223 2.6689194 ] [ 5.3181466 2.4625729 2.0083258 ] [ 5.0085936 2.8738035 4.6514476 ] [ 4.4754228 4.9872473 1.436011 ] [ 4.1476029 5.4226851 4.2348424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6933401e-10 1.7986078e-10 1.7233798e-10 ] [ 2.3655635e-10 2.2339832e-10 4.52223e-10 ] [ 1.8790865e-10 4.4441223e-10 2.6689194e-10 ] [ 5.3181466e-10 2.4625729e-10 2.0083258e-10 ] [ 5.0085936e-10 2.873803500000001e-10 4.6514476e-10 ] [ 4.4754228e-10 4.9872473e-10 1.436011e-10 ] [ 4.1476029e-10 5.4226851e-10 4.2348424e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.9e-05 -5.46e-05 5.58e-05 ] [ -7.81e-05 1.64e-05 -6.68e-05 ] [ -2.12e-05 -3.82e-05 2.76e-05 ] [ 4.7e-05 2.84e-05 -3.8e-06 ] [ 3.07e-05 9.1e-06 -5.16e-05 ] [ 3.11e-05 7.4e-06 1.18e-05 ] [ 2.95e-05 3.14e-05 2.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.248488821120001e-14 -8.747884349568e-14 8.940145544064e-14 ] [ -1.2512999408448e-13 2.627569658112e-14 -1.0702539826944e-13 ] [ -3.396614436096001e-14 -6.120314691456e-14 4.422007473408001e-14 ] [ 7.530230117759999e-14 4.550181603071999e-14 -6.08827115904e-15 ] [ 4.918682225856e-14 1.457980724928e-14 -8.267231363328e-14 ] [ 4.982769290688e-14 1.185610699392e-14 1.890568412544e-14 ] [ 4.72642103136e-14 5.030834589312e-14 4.341898642368e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.619169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143337389132412e-18 } }