{ "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" [ [ 1.30949 2.712734 2.978333 ] [ 0.0672006 1.690783 1.932827 ] [ 2.539316 0.8650755 1.245634 ] [ 2.964133 0.3086468 2.850804 ] [ 2.353048 2.858216 0.4219119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.30949e-10 2.712734e-10 2.978333e-10 ] [ 6.72006e-12 1.690783e-10 1.932827e-10 ] [ 2.539316e-10 8.650755e-11 1.245634e-10 ] [ 2.964133e-10 3.086468e-11 2.850804e-10 ] [ 2.353048e-10 2.858216e-10 4.219119e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.2381384 14.3227759 8.4150402 ] [ -8.9181022 -7.9199032 -6.5394288 ] [ -4.0926542 -0.4930347 -21.5420346 ] [ 8.3574275 -10.5076983 19.8566305 ] [ 0.4151906 4.5978603 -0.1902073 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.79024626019472e-09 2.294761669193768e-08 1.348238067153216e-08 ] [ -1.428837484674505e-08 -1.268908374603911e-08 -1.04773199367462e-08 ] [ -6.557154876258928e-09 -7.899286695831418e-10 -3.451414420058468e-08 ] [ 1.339007495053099e-08 -1.68351885546799e-08 3.181382915496422e-08 ] [ 6.652086724959245e-10 7.366584278364474e-09 -3.047456891654918e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.93731673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.501746951090706e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.562692 3.7386028 1.9195847 ] [ 0.0592269 1.4419431 2.2897165 ] [ 2.2417661 0.8445252 1.5516603 ] [ 3.6242643 -0.7308002 2.4870147 ] [ 2.7452384 3.1411845 1.1815337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.62692e-11 3.7386028e-10 1.9195847e-10 ] [ 5.92269e-12 1.4419431e-10 2.2897165e-10 ] [ 2.2417661e-10 8.445252e-11 1.5516603e-10 ] [ 3.6242643e-10 -7.308002e-11 2.4870147e-10 ] [ 2.7452384e-10 3.1411845e-10 1.1815337e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.07e-05 -1.51e-05 -6.7e-06 ] [ -1.97e-05 1.56e-05 -7.6e-06 ] [ 2.62e-05 8e-06 2.25e-05 ] [ 6.5e-06 -2.34e-05 -5.5e-06 ] [ -4.37e-05 1.49e-05 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.918682225856e-14 -2.419286697408e-14 -1.073458335936e-14 ] [ -3.156287942976e-14 2.499395528448e-14 -1.217654231808e-14 ] [ 4.197702746496e-14 1.28174129664e-14 3.604897396800001e-14 ] [ 1.04141480352e-14 -3.749093292672001e-14 -8.8119714144e-15 ] [ -7.001511832895999e-14 2.387243164992e-14 -4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.303472 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.811015857226742e-18 } }