{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5353879 0.9970923 2.660459 ] [ 0.8434423 2.30713 1.528251 ] [ 1.912844 1.041012 0.0827139 ] [ 2.263312 0.2132627 1.656325 ] [ 2.91731 1.870919 1.650254 ] [ 2.184429 2.813613 2.907386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.353879e-11 9.970923e-11 2.660459e-10 ] [ 8.434423e-11 2.30713e-10 1.528251e-10 ] [ 1.912844e-10 1.041012e-10 8.27139e-12 ] [ 2.263312e-10 2.132627e-11 1.656325e-10 ] [ 2.91731e-10 1.870919e-10 1.650254e-10 ] [ 2.184429e-10 2.813613e-10 2.907386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.9125963 -19.1376666 24.286266 ] [ -11.6395301 20.4862928 -21.3499491 ] [ -4.6254087 3.7083407 -30.2710308 ] [ -0.7194045 -41.1784514 11.8134895 ] [ 37.1344573 11.2105491 -14.622859 ] [ -5.2375178 24.9109354 30.1440835 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.389261334413485e-08 -3.066192225580222e-08 3.891088791230864e-08 ] [ -1.864858315695968e-08 3.282265964144243e-08 -3.420638958510933e-08 ] [ -7.410721741840316e-09 5.941416820451202e-09 -4.849953823485432e-08 ] [ -1.152613080294453e-09 -6.597515265738458e-08 1.892729684290434e-08 ] [ 5.949595980233072e-08 1.796127982232973e-08 -2.34284030120766e-08 ] [ -8.391428639319084e-09 3.991171862896344e-08 4.829614623704494e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.439486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.832807717417012e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6212121 0.9364891 3.0236716 ] [ 0.3282032 2.5146497 1.2168423 ] [ 1.9171892 1.3470348 -0.0606864 ] [ 2.2102029 -0.2311225 1.746147 ] [ 3.5844524 1.754182 1.6409428 ] [ 1.9954654 2.921796 2.9184715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.212121e-11 9.364891e-11 3.0236716e-10 ] [ 3.282032e-11 2.5146497e-10 1.2168423e-10 ] [ 1.9171892e-10 1.3470348e-10 -6.068640000000001e-12 ] [ 2.2102029e-10 -2.311225e-11 1.746147e-10 ] [ 3.5844524e-10 1.754182e-10 1.6409428e-10 ] [ 1.9954654e-10 2.921796e-10 2.9184715e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.7e-06 2.14e-05 4e-07 ] [ -6.4e-06 -2.4e-06 6.5e-06 ] [ 9.8e-06 -8.6e-06 1.83e-05 ] [ -4e-06 -6.8e-06 -1.83e-05 ] [ 8.1e-06 7.2e-06 -4.3e-06 ] [ -1.02e-05 -1.09e-05 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.3258769118e-15 3.42865799676e-14 6.408706536e-16 ] [ -1.02539304576e-14 -3.845223921599999e-15 1.0414148121e-14 ] [ 1.57013310132e-14 -1.37787190524e-14 2.93198324022e-14 ] [ -6.408706535999999e-15 -1.08948011112e-14 -2.93198324022e-14 ] [ 1.29776307354e-14 1.15356717648e-14 -6.8893595262e-15 ] [ -1.63422016668e-14 -1.74637253106e-14 -4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.482382 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.961204058106219e-18 } }