{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4674792 2.697093 1.4489362 ] [ 1.5001706 -1.2041387 -2.4607627 ] [ -1.5671875 -3.0704674 -2.6426205 ] [ 1.0689946 0.0739797 0.6333864 ] [ 0.1250067 -0.6246169 0.7660555 ] [ 1.6946548 -0.8626941 0.9152527 ] [ 1.6458401 2.9908444 1.3397525 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.157690728150287e-09 4.321219348723334e-09 2.321451704670793e-09 ] [ 2.403538262531508e-09 -1.929242873340505e-09 -3.942576467276684e-09 ] [ -2.51091117291e-09 -4.919431083208561e-09 -4.233944782746806e-09 ] [ 1.712718155881448e-09 1.185285457537978e-10 1.014796882012677e-09 ] [ 2.002828121833594e-10 -1.000746594136572e-09 1.227356212335254e-09 ] [ 2.7151363008865e-09 -1.382188317922097e-09 1.466396478064076e-09 ] [ 2.636926529795134e-09 4.791860974130603e-09 2.146520133158352e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.75232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.606629489776026e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3390203 3.6482745 3.2066284 ] [ 5.2837887 2.1122812 1.920266 ] [ 2.893176 1.6666071 1.8690293 ] [ 5.9358888 2.5122193 4.128368 ] [ 3.6908789 1.8641674 4.1583305 ] [ 3.756379 3.8690489 1.2152287 ] [ 4.6609742 4.3394396 3.4235586 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3390203e-10 3.6482745e-10 3.2066284e-10 ] [ 5.2837887e-10 2.1122812e-10 1.920266e-10 ] [ 2.893176e-10 1.6666071e-10 1.8690293e-10 ] [ 5.9358888e-10 2.5122193e-10 4.128368e-10 ] [ 3.6908789e-10 1.8641674e-10 4.1583305e-10 ] [ 3.756379e-10 3.8690489e-10 1.2152287e-10 ] [ 4.660974200000001e-10 4.339439600000001e-10 3.4235586e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.25e-05 -6.3e-06 -4.23e-05 ] [ -8.2e-06 1.42e-05 -1.65e-05 ] [ 3.27e-05 0.000102 -2.75e-05 ] [ 3.32e-05 -2.88e-05 5.98e-05 ] [ 4e-05 5.5e-05 -1.32e-05 ] [ -5.55e-05 -8.16e-05 8.79e-05 ] [ 4e-07 -5.45e-05 -4.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.8092506384e-14 -1.009371271104e-14 -6.777207105984e-14 ] [ -1.313784829056e-14 2.275090801536e-14 -2.64359142432e-14 ] [ 5.239117550016001e-14 1.634220153216e-13 -4.4059857072e-14 ] [ 5.319226381056e-14 -4.614268667904e-14 9.581016192383999e-14 ] [ 6.4087064832e-14 8.8119714144e-14 -2.114873139456e-14 ] [ -8.892080245440001e-14 -1.3073761225728e-13 1.4083132496832e-13 ] [ 6.408706483200001e-16 -8.731862583360001e-14 -7.706469546047999e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.25324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.16753870730514e-18 } }