{ "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" [ [ 0.3247182 0.2574581 0.2093782 ] [ 0.0650872 0.6230634 2.300965 ] [ 0.7071473 2.551012 0.1142943 ] [ 0.540381 2.928346 2.93806 ] [ 2.649535 1.391538 0.3805226 ] [ 1.868471 1.381011 2.58095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.247182e-11 2.574581e-11 2.093782e-11 ] [ 6.50872e-12 6.230634000000001e-11 2.300965e-10 ] [ 7.071473000000001e-11 2.551012e-10 1.142943e-11 ] [ 5.40381e-11 2.928346e-10 2.93806e-10 ] [ 2.649535e-10 1.391538e-10 3.805226e-11 ] [ 1.868471e-10 1.381011e-10 2.58095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6965727 0.2823069 -3.1954102 ] [ -9.0627627 -0.2881697 1.4135398 ] [ -0.9715094 -0.4102206 7.9380501 ] [ -4.3012563 2.5022797 -4.5932323 ] [ -1.3541918 -1.5415696 0.9181465 ] [ 12.9931475 -0.5446267 -2.4810939 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.320385736227533e-09 4.523055150705236e-10 -5.119611516305852e-09 ] [ -1.452014651779829e-08 -4.616987561629497e-10 2.264740420130308e-09 ] [ -1.556529647567435e-09 -6.572458546905484e-10 1.27181582849591e-08 ] [ -6.891372283928711e-09 4.009094034042438e-09 -7.359169404963412e-09 ] [ -2.169654442039069e-09 -2.469866772456008e-09 1.471032856769347e-09 ] [ 2.081731715510597e-08 -8.725881658034554e-10 -3.975150640589493e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.812645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334553323601002e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6663167 0.2933679 0.2815255 ] [ -0.1961559 0.8087953 2.3874138 ] [ 0.2514447 2.5523633 0.123419 ] [ 0.9695062 2.8271713 2.3123504 ] [ 2.3867375 1.8186493 0.6712712 ] [ 2.0774905 0.8320815 2.7481902 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.663167e-11 2.933679e-11 2.815255e-11 ] [ -1.961559e-11 8.087953e-11 2.3874138e-10 ] [ 2.514447e-11 2.5523633e-10 1.23419e-11 ] [ 9.695062000000001e-11 2.8271713e-10 2.3123504e-10 ] [ 2.3867375e-10 1.8186493e-10 6.712712e-11 ] [ 2.0774905e-10 8.320815000000001e-11 2.7481902e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.28e-05 2.33e-05 -1.64e-05 ] [ 9e-06 -4.76e-05 5.57e-05 ] [ -6.46e-05 5.38e-05 -9.2e-05 ] [ 1.46e-05 -4.5e-06 -7.11e-05 ] [ 5.12e-05 3.01e-05 5.13e-05 ] [ 3.26e-05 -5.51e-05 7.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.857315937023999e-14 3.733071526464e-14 -2.627569658112e-14 ] [ 1.44195895872e-14 -7.626360715008e-14 8.924123777856e-14 ] [ -1.0350060970368e-13 8.619710219904001e-14 -1.474002491136e-13 ] [ 2.339177866368e-14 -7.2097947936e-15 -1.1391475773888e-13 ] [ 8.203144298496001e-14 4.822551628608e-14 8.219166064704e-14 ] [ 5.223095783807999e-14 -8.827993180608e-14 1.16157805008e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.007871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.166920287298232e-18 } }