{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5870374 0.0392942 -0.3082968 ] [ 0.2296795 -0.3471086 -4.0780635 ] [ -5.3075413 -1.4439439 2.8043304 ] [ 2.7167425 3.3510297 0.692538 ] [ -1.4143305 -4.9220054 -5.9181119 ] [ 0.2496143 1.7507837 -1.9998978 ] [ 2.9387981 1.5719503 8.8075016 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.40537597815218e-10 6.295624857303936e-11 -4.939459252274535e-10 ] [ 3.679871251770336e-10 -5.561292837986188e-10 -6.533777997837821e-09 ] [ -8.503618584790439e-09 -2.313453158326773e-09 4.493032603878712e-09 ] [ 4.352701318233744e-09 5.368941440946437e-09 1.10956819261559e-09 ] [ -2.266007261184374e-09 -7.885921979331352e-09 -9.481860525458269e-09 ] [ 3.999261956773575e-10 2.805064712217721e-09 -3.204189499149354e-09 ] [ 4.708473609071461e-09 2.518542019719546e-09 1.411117315117859e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.833576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.857253853245998e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2124535 1.9853695 3.7626964 ] [ 2.2891826 3.6098186 0.8445263 ] [ 1.1609868 3.907416 2.9082838 ] [ 2.9782159 5.157336 3.7239151 ] [ 3.3426683 1.6872342 1.6952374 ] [ 4.1084315 4.8592138 1.656455 ] [ 4.3169043 3.1513089 3.3808481 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2124535e-10 1.9853695e-10 3.7626964e-10 ] [ 2.2891826e-10 3.6098186e-10 8.445263e-11 ] [ 1.1609868e-10 3.907416e-10 2.9082838e-10 ] [ 2.9782159e-10 5.157336e-10 3.723915100000001e-10 ] [ 3.3426683e-10 1.6872342e-10 1.6952374e-10 ] [ 4.1084315e-10 4.859213800000001e-10 1.656455e-10 ] [ 4.3169043e-10 3.1513089e-10 3.3808481e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.05e-05 -2.05e-05 -8.4e-06 ] [ 6.5e-06 1.68e-05 9.1e-06 ] [ -5.9e-06 1.6e-05 -2.4e-06 ] [ -2e-07 8.1e-06 -1.47e-05 ] [ 3.4e-06 3e-06 1.62e-05 ] [ -1.27e-05 -1.34e-05 2.2e-06 ] [ -1.16e-05 -1.02e-05 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.28446207264e-14 -3.28446207264e-14 -1.345828361472e-14 ] [ 1.04141480352e-14 2.691656722944e-14 1.457980724928e-14 ] [ -9.45284206272e-15 2.56348259328e-14 -3.84522388992e-15 ] [ -3.2043532416e-16 1.297763062848e-14 -2.355199632576e-14 ] [ 5.44740051072e-15 4.8065298624e-15 2.595526125696e-14 ] [ -2.034764308416e-14 -2.146916671872e-14 3.52478856576e-15 ] [ -1.858524880128e-14 -1.634220153216e-14 -3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }