{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.6205588 -8.5654399 -6.8715504 ] [ -5.9300705 -6.5095102 8.6870256 ] [ -2.9914237 8.5789212 -5.5151546 ] [ -2.1832577 4.3459254 0.1732455 ] [ 14.2239322 -3.1086181 5.2508482 ] [ 3.3697279 1.5375693 -3.8739471 ] [ 1.1316507 3.7211523 2.1495328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.22094811467917e-08 -1.372334755464749e-08 -1.100943739952889e-08 ] [ -9.501020314795766e-09 -1.042938505529913e-08 1.391814932061109e-08 ] [ -4.792789115047032e-09 1.374494697832548e-08 -8.836251760217575e-09 ] [ -3.49796444412158e-09 6.962940071620888e-09 2.775698897588064e-10 ] [ 2.278925162668431e-08 -4.980555242815717e-09 8.412786225409763e-09 ] [ 5.39889925983748e-09 2.463457585319821e-09 -6.20674747383596e-09 ] [ 1.813104294451955e-09 5.961943217496149e-09 3.443931197802762e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.9483433 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.723766705352321e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1749406 1.5906986 1.967274 ] [ 2.1855472 1.7319717 3.9535471 ] [ 2.5005595 4.6404762 1.1229707 ] [ 2.0616271 4.9417567 3.0944126 ] [ 5.3057646 2.5544688 2.7871609 ] [ 5.3965136 3.4447702 1.1382641 ] [ 3.5840004 4.4806708 4.4110717 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1749406e-10 1.5906986e-10 1.967274e-10 ] [ 2.1855472e-10 1.7319717e-10 3.9535471e-10 ] [ 2.5005595e-10 4.6404762e-10 1.1229707e-10 ] [ 2.0616271e-10 4.9417567e-10 3.0944126e-10 ] [ 5.3057646e-10 2.5544688e-10 2.7871609e-10 ] [ 5.3965136e-10 3.4447702e-10 1.1382641e-10 ] [ 3.5840004e-10 4.480670800000001e-10 4.4110717e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3766105 -2.2086062 0.8700015 ] [ -0.275064 0.8132826 -1.7578832 ] [ 0.1754797 -0.6118045 1.3017721 ] [ -0.1221665 1.957011 0.443433 ] [ 0.5804941 0.0128234 -0.1916874 ] [ 0.355597 0.3582381 -0.161839 ] [ -0.3377298 -0.3209444 -0.503797 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.033965382477984e-10 -3.538577218193929e-09 1.393896063360931e-09 ] [ -4.407011100237312e-10 1.303022367823438e-09 -2.816439365137091e-09 ] [ 2.811494727649977e-10 -9.802188664002337e-10 2.08566882422972e-09 ] [ -1.957323101449632e-10 3.135477270848429e-09 7.104579854912065e-10 ] [ 9.300540755323373e-10 2.054535167916672e-11 -3.071170707819379e-10 ] [ 5.697291998266176e-10 5.739607084998125e-10 -2.592946621336512e-10 ] [ -5.411027897074599e-10 -5.142096142566836e-10 -8.071717750291776e-10 ] ] } "relaxed-potential-energy" { "source-value" -29.207942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.67962818140824e-18 } }