{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9426212 1.2849852 3.4129698 ] [ -3.9634994 1.309269 7.9566118 ] [ -1.9172797 -0.7016697 -5.2708454 ] [ -3.8367859 -10.734631 -1.5727698 ] [ 1.3292849 1.7427027 -12.1954679 ] [ -4.4430646 7.9461658 -0.4422936 ] [ 13.773966 -0.846822 8.1117952 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.510245648910441e-09 2.058773245514012e-09 5.468180421056452e-09 ] [ -6.350226075234828e-09 2.097680182138195e-09 1.274789740674141e-08 ] [ -3.071820710874438e-09 -1.12419878886375e-09 -8.444825271731224e-09 ] [ -6.147208667995087e-09 -1.719877482111493e-08 -2.519855003460292e-09 ] [ 2.129749189162466e-09 2.792117522945036e-09 -1.953929354909687e-08 ] [ -7.118574226824103e-09 1.273116106976053e-08 -7.086324654494669e-10 ] [ 2.206832630089409e-08 -1.356758410379098e-09 1.299652862215766e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.847668 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.097117357660029e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9309126 3.2908302 2.5048977 ] [ 1.5625641 1.9958219 5.7784918 ] [ 1.340058 3.3456405 4.044116 ] [ 4.0564173 1.5931545 3.3698371 ] [ 3.4157555 4.6747334 0.8588592 ] [ 4.3196124 6.4597327 -0.052748 ] [ 3.3755121 0.8164929 5.3209633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9309126e-10 3.2908302e-10 2.5048977e-10 ] [ 1.5625641e-10 1.9958219e-10 5.778491800000001e-10 ] [ 1.340058e-10 3.3456405e-10 4.044116e-10 ] [ 4.0564173e-10 1.5931545e-10 3.3698371e-10 ] [ 3.4157555e-10 4.6747334e-10 8.588592000000001e-11 ] [ 4.3196124e-10 6.4597327e-10 -5.274800000000001e-12 ] [ 3.3755121e-10 8.164929e-11 5.3209633e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0226455 0.2309522 -0.243326 ] [ -0.0438796 0.0203064 -0.0535737 ] [ -0.0435575 -0.0068035 0.1347555 ] [ 0.1566542 -0.1209279 0.0277252 ] [ -0.0503016 -0.1313259 0.1446899 ] [ 0.0251653 0.0687783 -0.0771551 ] [ -0.0214353 -0.0609796 0.0668842 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.628209066632639e-11 3.700262153623257e-10 -3.898512284327808e-10 ] [ -7.030286925005568e-11 3.253443933261312e-11 -8.583452962975297e-11 ] [ -6.978680816049601e-11 -1.09004086396128e-11 2.159021116242144e-10 ] [ 2.509876967901274e-10 -1.937478541824403e-10 4.442066724700416e-11 ] [ -8.059204750883329e-11 -2.104072866855187e-10 2.318187750458899e-10 ] [ 4.031925531541824e-11 1.101949842783687e-10 -1.236160973954861e-10 ] [ -3.434313651983424e-11 -9.770008946573568e-11 1.071603015409114e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.497333 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.643164123815233e-18 } }