{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -33.0334589 -18.9962424 7.9607879 ] [ -28.4837052 29.7331311 378.0108959 ] [ -48.7815184 -41.4086995 -18.790939 ] [ 27.1906678 -16.53399 8.32103 ] [ 33.5677475 -23.648325 6.925031 ] [ 354.197413 -39.1233599 -341.3286285 ] [ -304.6571457 109.9774857 -41.0981772 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.292543598977934e-08 -3.043533570708008e-08 1.275458836160993e-08 ] [ -4.563592692118429e-08 4.763772790407871e-08 6.056402248083863e-07 ] [ -7.815660895152106e-08 -6.634405078322748e-08 -3.010640339671933e-08 ] [ 4.356425261201618e-08 -2.649037244478966e-08 1.333175983681302e-08 ] [ 5.378146070051192e-08 -3.788879374823805e-08 1.109512285792565e-08 ] [ 5.674868189318477e-07 -6.268253307535256e-08 -5.468687530979664e-07 ] [ -4.881145602216735e-07 1.762033578546091e-07 -6.584653920983154e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 57.39077 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.195015070126817e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3838903 2.5002964 0.2357431 ] [ 1.5201985 5.1219629 1.2058123 ] [ 1.8622741 2.90981 3.0898506 ] [ 5.1178007 2.3741496 0.8737303 ] [ 4.6378857 2.7509823 3.4997016 ] [ 4.2730993 4.9749408 0.2259509 ] [ 3.7514464 5.3844819 3.08005 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3838903e-10 2.5002964e-10 2.357431e-11 ] [ 1.5201985e-10 5.1219629e-10 1.2058123e-10 ] [ 1.8622741e-10 2.90981e-10 3.0898506e-10 ] [ 5.117800700000001e-10 2.3741496e-10 8.737303e-11 ] [ 4.6378857e-10 2.7509823e-10 3.4997016e-10 ] [ 4.2730993e-10 4.9749408e-10 2.259509e-11 ] [ 3.7514464e-10 5.3844819e-10 3.08005e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.91e-05 -9.67e-05 -8.6e-06 ] [ -2.02e-05 9.5e-06 1.98e-05 ] [ -3.56e-05 -9.6e-06 5.4e-06 ] [ -2.39e-05 7.32e-05 -2.18e-05 ] [ -9.8e-06 -2.9e-05 2.77e-05 ] [ 7.03e-05 2.62e-05 -2.34e-05 ] [ 3.82e-05 2.64e-05 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.06015737094e-14 -1.549304805078e-13 -1.37787190524e-14 ] [ -3.236396800679999e-14 1.5220678023e-14 3.17230973532e-14 ] [ -5.703748817039999e-14 -1.53808956864e-14 8.6517538236e-15 ] [ -3.82920215526e-14 1.172793296088e-13 -3.492745062119999e-14 ] [ -1.57013310132e-14 -4.6463122386e-14 4.438029276179999e-14 ] [ 1.126330173702e-13 4.197702781079999e-14 -3.749093323559999e-14 ] [ 6.12031474188e-14 4.22974631376e-14 1.4419589706e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.305738 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.093120232572589e-18 } }