{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.1281905e-10 1.4501243e-10 2.87386e-11 ] [ 9.042488e-11 1.0883626e-10 2.6288744e-10 ] [ 3.830608e-11 3.2705143e-10 -8.958295e-11 ] [ -1.178071e-11 2.4797751e-10 4.1406821e-10 ] [ 3.3621741e-10 6.340892e-11 3.821215e-11 ] [ 3.1406604e-10 2.791688e-11 2.7251985e-10 ] ] "source-value" [ [ 1.1281905 1.4501243 0.287386 ] [ 0.9042488 1.0883626 2.6288744 ] [ 0.3830608 3.2705143 -0.8958295 ] [ -0.1178071 2.4797751 4.1406821 ] [ 3.3621741 0.6340892 0.3821215 ] [ 3.1406604 0.2791688 2.7251985 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.42625177932544e-12 1.216356468745152e-11 -5.79891806132352e-12 ] [ 6.8124549916416e-12 -1.88223709411584e-12 4.20106731739968e-12 ] [ -3.17022687957696e-12 -7.90417814105472e-12 -1.01273584200768e-12 ] [ -4.31418098682816e-12 2.50356118766208e-12 4.843860577664641e-12 ] [ 7.0960402535232e-13 -1.0301995671744e-12 2.44620326463744e-12 ] [ -5.46390292991424e-12 -3.85035085510656e-12 -4.67963747403264e-12 ] ] "source-value" [ [ 0.0033868 0.0075919 -0.0036194 ] [ 0.004252 -0.0011748 0.0026221 ] [ -0.0019787 -0.0049334 -0.0006321 ] [ -0.0026927 0.0015626 0.0030233 ] [ 0.0004429 -0.000643 0.0015268 ] [ -0.0034103 -0.0024032 -0.0029208 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.238135476253614e-18 "source-value" -13.969343 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.187708120681101e-08 -2.914345270211534e-08 -3.25966665908237e-08 ] [ 2.526056003766372e-08 -6.32981665222017e-08 4.794317847891535e-08 ] [ -1.412196765594357e-08 4.531949602172074e-08 -2.651156501779262e-08 ] [ -5.645224782878741e-08 6.486418938668269e-08 3.163897641054152e-08 ] [ 5.638659784066184e-08 -6.87297945653959e-09 -4.440653556855572e-08 ] [ 1.080413881321645e-08 -1.086908672754681e-08 2.393261244793283e-08 ] ] "source-value" [ [ -13.6546002 -18.1899126 -20.3452392 ] [ 15.7664016 -39.5076084 29.9237786 ] [ -8.814239 28.2862048 -16.5472175 ] [ -35.234722 40.485043 19.747496 ] [ 35.1937465 -4.2897764 -27.7163797 ] [ 6.7434131 -6.7839504 14.9375619 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 3.122310583378694e-18 "source-value" 19.48793 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.127389e-10 1.171603e-10 6.946463000000001e-11 ] [ 1.009133e-10 1.283908e-10 2.574652e-10 ] [ 7.652821e-11 2.93985e-10 2.651139e-11 ] [ 2.12665e-12 2.421916e-10 2.924129e-10 ] [ 2.909562e-10 9.55426e-11 4.927479e-11 ] [ 2.967895e-10 4.293313e-11 2.317144e-10 ] ] "source-value" [ [ 1.127389 1.171603 0.6946463 ] [ 1.009133 1.283908 2.574652 ] [ 0.7652821 2.93985 0.2651139 ] [ 0.0212665 2.421916 2.924129 ] [ 2.909562 0.955426 0.4927479 ] [ 2.967895 0.4293313 2.317144 ] ] } "instance-id" 1 }