{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8079319 -5.077841 1.1810992 ] [ -1.8302274 0.8653736 -1.8452859 ] [ -0.533579 0.2691795 1.4708596 ] [ 3.0602996 4.6135493 -0.4637464 ] [ 0.1801906 -1.2948533 0.8294029 ] [ 0.3418912 0.3738344 -0.7899707 ] [ 0.5893569 0.2507574 -0.3823587 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.896626222178524e-09 -8.135598134339694e-09 1.892329525085583e-09 ] [ -2.93234755102757e-09 1.386481350177531e-09 -2.956473927671887e-09 ] [ -8.548877991498433e-10 4.312731016986336e-10 2.35657686359924e-09 ] [ 4.903140471763591e-09 7.391720827368205e-09 -7.430036400601652e-10 ] [ 2.886971666079245e-10 -2.074583684625729e-09 1.32884993560372e-09 ] [ 5.47770087497257e-10 5.989487357307955e-10 -1.265672586657011e-09 ] [ 9.442538464871634e-10 4.01757643772594e-10 -6.12606169899481e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -15.317751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.454174253543582e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1443408 0.1218369 2.6988094 ] [ 1.3747345 2.2985149 2.61504 ] [ 2.0215685 2.5320209 4.7943952 ] [ 3.2554934 3.4947804 2.0076304 ] [ 2.9777855 0.4566717 4.8273063 ] [ 5.0156912 1.4723798 4.4367613 ] [ 3.9897342 3.5284823 4.1978323 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1443408e-10 1.218369e-11 2.6988094e-10 ] [ 1.3747345e-10 2.2985149e-10 2.61504e-10 ] [ 2.0215685e-10 2.5320209e-10 4.794395200000001e-10 ] [ 3.2554934e-10 3.4947804e-10 2.0076304e-10 ] [ 2.9777855e-10 4.566717e-11 4.827306300000001e-10 ] [ 5.015691200000001e-10 1.4723798e-10 4.4367613e-10 ] [ 3.9897342e-10 3.5284823e-10 4.1978323e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.48e-05 -1.56e-05 7.4e-06 ] [ 2e-06 1.84e-05 -6e-06 ] [ 7.6e-06 -1.55e-05 -2.24e-05 ] [ -2.43e-05 7.1e-06 -1.05e-05 ] [ 1.01e-05 6.5e-06 -5.8e-06 ] [ 1.19e-05 -1.33e-05 2.55e-05 ] [ 7.5e-06 1.24e-05 1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.371221398784e-14 -2.499395528448e-14 1.185610699392e-14 ] [ 3.2043532416e-15 2.948004982272e-14 -9.6130597248e-15 ] [ 1.217654231808e-14 -2.48337376224e-14 -3.588875630592e-14 ] [ -3.893289188544e-14 1.137545400768e-14 -1.68228545184e-14 ] [ 1.618198387008e-14 1.04141480352e-14 -9.292624400640001e-15 ] [ 1.906590178752e-14 -2.130894905664e-14 4.08555038304e-14 ] [ 1.2016324656e-14 1.986699009792e-14 1.890568412544e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }