{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.360944 2.643853 2.165766 ] [ 2.694587 4.80447 3.102481 ] [ 4.665525 1.923814 2.374826 ] [ 4.545146 3.928705 1.722535 ] [ 3.943017 3.203445 4.218269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.360944e-10 2.643853e-10 2.165766e-10 ] [ 2.694587e-10 4.80447e-10 3.102481e-10 ] [ 4.665525e-10 1.923814e-10 2.374826e-10 ] [ 4.545146e-10 3.928705e-10 1.722535e-10 ] [ 3.943017e-10 3.203445e-10 4.218269e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.3492051 1.9707164 1.0960174 ] [ 3.3116942 -3.2733024 -2.5920701 ] [ -2.8037462 -2.0735483 2.410639 ] [ -5.8779741 3.5921164 3.1891065 ] [ 0.0208211 -0.2159821 -4.1036928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.570371421693633e-09 3.157435768320597e-09 1.756013468737431e-09 ] [ 5.305919066193322e-09 -5.244408621296121e-09 -4.152954147910042e-09 ] [ -4.49209664930629e-09 -3.322190635730422e-09 3.862269478809126e-09 ] [ -9.417552758277179e-09 5.755204962688197e-09 5.10951191763752e-09 ] [ 3.335907991417739e-11 -3.460414739822514e-10 -6.574840717274035e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.037465046368851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.60817919618839e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4753916 2.6636978 2.2064258 ] [ 2.6958887 4.7812185 3.0489938 ] [ 4.5946072 1.8202078 2.4060258 ] [ 4.4709009 4.0282016 1.8154851 ] [ 3.9724306 3.2109613 4.1069464 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4753916e-10 2.6636978e-10 2.2064258e-10 ] [ 2.6958887e-10 4.7812185e-10 3.0489938e-10 ] [ 4.5946072e-10 1.8202078e-10 2.4060258e-10 ] [ 4.4709009e-10 4.0282016e-10 1.8154851e-10 ] [ 3.9724306e-10 3.2109613e-10 4.1069464e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.18e-05 0.0002618 -0.0001025 ] [ 7.03e-05 -0.0003563 9.66e-05 ] [ 5.36e-05 -0.0001697 -6.4e-05 ] [ -0.0001467 -0.0001285 0.0002026 ] [ -1.9e-05 0.0003927 -0.0001327 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.697098330119999e-14 4.194498427812e-13 -1.64223104985e-13 ] [ 1.126330173702e-13 -5.708555346941999e-13 1.547702628444e-13 ] [ 8.587666758239999e-14 -2.718893747898e-13 -1.02539304576e-13 ] [ -2.350393122077999e-13 -2.05879697469e-13 3.246009860483999e-13 ] [ -3.0441356046e-14 6.291747641717999e-13 -2.126088393318e-13 ] ] } "relaxed-potential-energy" { "source-value" -12.924216046368851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.070687696226003e-18 } }