{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.360944 2.643853 2.165766 ] [ 2.694587 4.80447 3.102481 ] [ 4.665525 1.923814 2.374826 ] [ 4.545146 3.928705 1.722535 ] [ 3.943017 3.203445 4.218269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.360944e-10 2.643853e-10 2.165766e-10 ] [ 2.694587e-10 4.80447e-10 3.102481e-10 ] [ 4.665525e-10 1.923814e-10 2.374826e-10 ] [ 4.545146e-10 3.928705e-10 1.722535e-10 ] [ 3.943017e-10 3.203445e-10 4.218269e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.4252138 -3.8720049 -2.1091037 ] [ -4.6908796 8.3207236 2.1953179 ] [ 7.7269735 -9.2961504 -1.9165911 ] [ 5.6866005 4.9478391 -5.0960406 ] [ 0.7025193 -0.1004074 6.9264175 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.510085732081435e-08 -6.203635777513506e-09 -3.379156666822946e-09 ] [ -7.515617688027265e-09 1.333126892989236e-08 3.517287043581948e-09 ] [ 1.23799763932372e-08 -1.489407495702975e-08 -3.070717477352357e-09 ] [ 9.110938447992716e-09 7.92731219481159e-09 -8.16475717523534e-09 ] [ 1.125560007394036e-09 -1.608703901606916e-10 1.109734427582869e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.241748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281779587291623e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4338055 2.6357767 2.2031296 ] [ 2.5340572 5.0190172 3.0974741 ] [ 4.7496431 1.5827064 2.3360751 ] [ 4.507953 4.0619012 1.8023462 ] [ 3.9837602 3.2048855 4.144852 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4338055e-10 2.6357767e-10 2.2031296e-10 ] [ 2.5340572e-10 5.019017200000001e-10 3.0974741e-10 ] [ 4.749643100000001e-10 1.5827064e-10 2.3360751e-10 ] [ 4.507953e-10 4.0619012e-10 1.8023462e-10 ] [ 3.9837602e-10 3.2048855e-10 4.144852000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.08e-05 -6.5e-06 -2.08e-05 ] [ -2.76e-05 -4.32e-05 5.4e-06 ] [ -3.28e-05 -3.86e-05 1.84e-05 ] [ 5.28e-05 5.42e-05 1.04e-05 ] [ 4.85e-05 3.41e-05 -1.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.53688066672e-14 -1.0414148121e-14 -3.332527398719999e-14 ] [ -4.42200750984e-14 -6.92140305888e-14 8.6517538236e-15 ] [ -5.255139359519999e-14 -6.18440180724e-14 2.94800500656e-14 ] [ 8.45949262752e-14 8.68379735628e-14 1.66626369936e-14 ] [ 7.770556674899999e-14 5.46342232194e-14 -2.162938455899999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.756113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.844842935926364e-18 } }