{ "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" [ [ 0.8760834 0.5811476 0.1887226 ] [ 0.0667642 0.1957144 2.535937 ] [ 2.950388 1.045755 1.267551 ] [ 1.713434 2.554048 0.6359242 ] [ 2.757437 2.623078 2.535254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.760833999999999e-11 5.811476e-11 1.887226e-11 ] [ 6.67642e-12 1.957144e-11 2.535937e-10 ] [ 2.950388e-10 1.045755e-10 1.267551e-10 ] [ 1.713434e-10 2.554048e-10 6.359242000000001e-11 ] [ 2.757437e-10 2.623078e-10 2.535254e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 101.3851566 -61.4734415 -23.4420232 ] [ -25.6991883 -13.734443 67.9367193 ] [ 4.6173989 -248.12746 -72.8602721 ] [ -101.7449963 239.1100055 -97.9154467 ] [ 21.4416292 84.225339 126.2810227 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.624369276006668e-07 -9.84913107714165e-08 -3.75582615152912e-08 ] [ -4.11746386677969e-08 -2.200500347431022e-08 1.088466233563121e-07 ] [ 7.397888566487638e-09 -3.975440153904872e-07 -1.167350245437465e-07 ] [ -1.630134543552425e-07 3.830964606114594e-07 -1.568778395179285e-07 ] [ 3.435327701610261e-08 1.349438690247545e-07 2.023245022206541e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 106.0765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.699532883162912e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.8885482 0.350379 -0.0772601 ] [ 0.2124102 0.6100582 2.7402915 ] [ 3.5142414 0.3953936 1.1744872 ] [ 1.2917923 3.1944091 0.3832548 ] [ 2.4571145 2.4495032 2.9426154 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.885482e-11 3.50379e-11 -7.72601e-12 ] [ 2.124102e-11 6.100582e-11 2.7402915e-10 ] [ 3.5142414e-10 3.953936000000001e-11 1.1744872e-10 ] [ 1.2917923e-10 3.1944091e-10 3.832548e-11 ] [ 2.4571145e-10 2.4495032e-10 2.9426154e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 1.23e-05 2.01e-05 ] [ 4.06e-05 5.1e-06 -2.79e-05 ] [ -3.52e-05 1.42e-05 6.1e-06 ] [ 1.53e-05 -2.69e-05 1.16e-05 ] [ -1.76e-05 -4.8e-06 -9.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.96674752448e-15 1.970677243584e-14 3.220375007808e-14 ] [ 6.504837080448e-14 8.17110076608e-15 -4.470072772032e-14 ] [ -5.639661705216e-14 2.275090801536e-14 9.77327738688e-15 ] [ 2.451330229824e-14 -4.309855109952001e-14 1.858524880128e-14 ] [ -2.819830852608e-14 -7.69044777984e-15 -1.586154854592e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.147671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.946271447337016e-18 } }