{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.791974 1.969692 5.430326 ] [ 0.9772327 1.558703 3.532753 ] [ 1.904195 3.961743 3.08361 ] [ 3.942728 2.452708 3.176311 ] [ 3.885409 4.511937 2.468279 ] [ 3.646129 3.851026 4.717011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.791974e-10 1.969692e-10 5.430326e-10 ] [ 9.772327e-11 1.558703e-10 3.532753e-10 ] [ 1.904195e-10 3.961743e-10 3.08361e-10 ] [ 3.942728e-10 2.452708e-10 3.176311e-10 ] [ 3.885409e-10 4.511937e-10 2.468279e-10 ] [ 3.646129e-10 3.851026e-10 4.717011000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -29.3013881 -43.6147405 12.4872596 ] [ 12.9173487 6.1153371 8.8659567 ] [ -73.4102018 5.0237615 1.2492113 ] [ 29.2039895 -35.099198 -36.2799295 ] [ 48.655601 28.9897293 -97.9324675 ] [ 11.9346508 38.5851106 111.6099694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.694599935758566e-08 -6.987851812707348e-08 2.000679555381218e-08 ] [ 2.069587426037027e-08 9.797850210653318e-09 1.420482866279575e-08 ] [ -1.176161100211847e-07 8.04895329008879e-09 2.001457155788764e-09 ] [ 4.678994959648133e-08 -5.623511490773952e-08 -5.812685532806729e-08 ] [ 7.795486703542701e-08 4.644666691044517e-08 -1.569051111384644e-07 ] [ 1.91214186467094e-08 6.182016262362572e-08 1.78818885094135e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 53.449226 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.563510100258528e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1236162 1.5799006 5.2319237 ] [ 0.7447574 1.8437602 3.7914928 ] [ 1.2650466 4.4643981 2.931523 ] [ 4.7404735 1.7171289 2.9580766 ] [ 4.0800639 4.3751778 2.3443643 ] [ 3.1937101 4.3254434 5.1509095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1236162e-10 1.5799006e-10 5.2319237e-10 ] [ 7.447574000000001e-11 1.8437602e-10 3.7914928e-10 ] [ 1.2650466e-10 4.4643981e-10 2.931523e-10 ] [ 4.7404735e-10 1.7171289e-10 2.9580766e-10 ] [ 4.0800639e-10 4.3751778e-10 2.3443643e-10 ] [ 3.1937101e-10 4.3254434e-10 5.1509095e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.9e-06 -3.8e-06 -1.37e-05 ] [ -2.98e-05 -2.54e-05 2.2e-06 ] [ 1.4e-05 -6.6e-06 5.5e-06 ] [ -1.4e-06 8.2e-06 4.2e-06 ] [ 2.3e-06 2.8e-06 1.57e-05 ] [ 1.87e-05 2.47e-05 -1.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.248488872599999e-15 -6.088271209199999e-15 -2.19498198858e-14 ] [ -4.77448636932e-14 -4.06952865036e-14 3.5247885948e-15 ] [ 2.243047287599999e-14 -1.05743657844e-14 8.811971486999999e-15 ] [ -2.2430472876e-15 1.31378483988e-14 6.729141862799999e-15 ] [ 3.685006258199999e-15 4.486094575199999e-15 2.515417315379999e-14 ] [ 2.99607030558e-14 3.95737628598e-14 -2.22702552126e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.691321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.514026786279351e-18 } }