{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9328974 -5.385287 2.8462905 ] [ -5.7794149 3.2168576 -18.164457 ] [ -4.564292 2.7455877 19.1011001 ] [ 6.8574246 -4.5135024 -2.8585197 ] [ 7.4191797 3.9363441 -0.9244139 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.30119631819935e-09 -8.628180998783958e-09 4.560260132676175e-09 ] [ -9.259643510971446e-09 5.153974081625318e-09 -2.910266857469774e-08 ] [ -7.312801993153127e-09 4.398916459537802e-09 3.060333626391506e-08 ] [ 1.098680546353679e-08 -7.231428082782922e-09 -4.579853471168689e-09 ] [ 1.188683635878713e-08 6.306718540403759e-09 -1.481074350724813e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.6408276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.628895641142298e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.7642728 -0.5124577 1.4432765 ] [ 1.0628588 0.8170881 1.0164545 ] [ 1.4172699 2.7182495 2.260765 ] [ 2.5356043 0.2454432 -0.6546315 ] [ 3.4371345 3.7170852 2.6969816 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.642728e-11 -5.124577e-11 1.4432765e-10 ] [ 1.0628588e-10 8.170881e-11 1.0164545e-10 ] [ 1.4172699e-10 2.7182495e-10 2.260765e-10 ] [ 2.5356043e-10 2.454432e-11 -6.546315000000001e-11 ] [ 3.4371345e-10 3.7170852e-10 2.6969816e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 3.1e-06 -2.5e-06 ] [ 5.2e-06 -2.3e-06 1.7e-05 ] [ -8.2e-06 -2.78e-05 -3.12e-05 ] [ -6.6e-06 1.95e-05 1.32e-05 ] [ 1.31e-05 7.5e-06 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.607618218999999e-15 4.9667475654e-15 -4.005441585e-15 ] [ 8.331318496799998e-15 -3.685006258199999e-15 2.723700277799999e-14 ] [ -1.31378483988e-14 -4.454051042519999e-14 -4.998791098079999e-14 ] [ -1.05743657844e-14 3.1242444363e-14 2.11487315688e-14 ] [ 2.09885139054e-14 1.2016324755e-14 5.607618218999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.575945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.694453196146913e-18 } }