{ "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" [ [ 0.7607129 0.1029019 2.480933 ] [ 0.9158836 2.552597 0.2381701 ] [ 0.8989231 2.268448 2.632769 ] [ 2.109562 0.2713555 0.0459784 ] [ 2.969591 1.985029 0.1686784 ] [ 2.973458 2.362165 2.304699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.607129000000001e-11 1.029019e-11 2.480933e-10 ] [ 9.158836e-11 2.552597e-10 2.381701e-11 ] [ 8.989231e-11 2.268448e-10 2.632769e-10 ] [ 2.109562e-10 2.713555e-11 4.59784e-12 ] [ 2.969591e-10 1.985029e-10 1.686784e-11 ] [ 2.973458e-10 2.362165e-10 2.304699e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9793136 -0.5756048 -1.8034833 ] [ -4.1148651 1.9655843 -0.2506771 ] [ -1.8831984 0.6836085 -0.2433971 ] [ -2.9022774 -6.4446689 1.2523993 ] [ 5.0005077 4.1604503 -0.7946845 ] [ 2.9205196 0.2106306 1.8398427 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.569033354351483e-09 -9.222205533802598e-10 -2.889498779263233e-09 ] [ -6.592740660965855e-09 3.149213211671534e-09 -4.016289889899436e-10 ] [ -3.017216448807967e-09 1.095261556480157e-09 -3.899651431905197e-10 ] [ -4.64996099735621e-09 -1.032549784037685e-08 2.006564878366286e-09 ] [ 8.011696529070381e-09 6.665776202660347e-09 -1.273224926812138e-09 ] [ 4.679188223708167e-09 3.374674229450765e-10 2.947752959889548e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8701785 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.421159261502281e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8917359 -0.0192477 2.2539503 ] [ 0.8052631 2.4812918 0.2495134 ] [ 0.9076445 2.2304973 2.5217971 ] [ 1.6694093 0.1836265 0.1330706 ] [ 3.2197874 2.0238351 0.2662599 ] [ 3.1342904 2.6424933 2.4466365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.917359e-11 -1.92477e-12 2.2539503e-10 ] [ 8.052631000000001e-11 2.4812918e-10 2.495134e-11 ] [ 9.076445e-11 2.2304973e-10 2.5217971e-10 ] [ 1.6694093e-10 1.836265e-11 1.330706e-11 ] [ 3.2197874e-10 2.0238351e-10 2.662599e-11 ] [ 3.1342904e-10 2.6424933e-10 2.4466365e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.17e-05 3.36e-05 1.49e-05 ] [ -4.8e-05 -6.1e-06 -1.45e-05 ] [ 1.83e-05 -3.05e-05 -2.1e-06 ] [ -1.44e-05 -2.87e-05 -4.96e-05 ] [ 2.76e-05 8.3e-06 5.29e-05 ] [ 2.82e-05 2.34e-05 -1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.874546646336e-14 5.383313445888e-14 2.387243164992e-14 ] [ -7.69044777984e-14 -9.77327738688e-15 -2.32315610016e-14 ] [ 2.931983216064e-14 -4.88663869344e-14 -3.36457090368e-15 ] [ -2.307134333952e-14 -4.598246901696e-14 -7.946796039168e-14 ] [ 4.422007473408001e-14 1.329806595264e-14 8.475514324032001e-14 ] [ 4.518138070656001e-14 3.749093292672001e-14 -2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.421688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.829956148367191e-18 } }