{ "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" [ [ 0.4656555 2.854978 2.130075 ] [ 2.415045 0.7163998 1.216409 ] [ 1.531563 1.029003 2.475027 ] [ 2.019704 2.428405 0.6522284 ] [ 2.764103 2.749341 2.416687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.656555e-11 2.854978e-10 2.130075e-10 ] [ 2.415045e-10 7.163998000000001e-11 1.216409e-10 ] [ 1.531563e-10 1.029003e-10 2.475027e-10 ] [ 2.019704e-10 2.428405e-10 6.522284e-11 ] [ 2.764103e-10 2.749341e-10 2.416687e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0219254 3.5495844 0.2528313 ] [ 795.72186 -385.7162481 -1054.3894742 ] [ -770.3033689 263.2038831 1094.0354503 ] [ -47.3288363 106.5977346 -86.5893682 ] [ 21.8884197 12.365046 46.6905609 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.512836328168832e-11 5.687061139236395e-09 4.05080397866471e-10 ] [ 1.274886960751491e-06 -6.179855549685124e-07 -1.689318164780845e-06 ] [ -1.234162048575058e-06 4.216991080065962e-07 1.752838020797061e-06 ] [ -7.582915500953037e-08 1.707883982063632e-07 -1.38731461339883e-07 ] [ 3.506911430959815e-08 1.981098761631656e-08 7.48065250860186e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 146.19727 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.342338480187852e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.6381851 3.1873739 2.3263101 ] [ 3.0402419 0.7238745 1.2298616 ] [ 1.1637335 1.0356112 2.3653558 ] [ 1.5880917 2.2549509 0.5554122 ] [ 2.7658184 2.5763163 2.4134866 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.381851e-11 3.1873739e-10 2.3263101e-10 ] [ 3.0402419e-10 7.238745e-11 1.2298616e-10 ] [ 1.1637335e-10 1.0356112e-10 2.3653558e-10 ] [ 1.5880917e-10 2.2549509e-10 5.554122e-11 ] [ 2.7658184e-10 2.5763163e-10 2.4134866e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.8e-06 5.64e-05 -4.2e-06 ] [ 8.5e-06 4.12e-05 -1.07e-05 ] [ 1.32e-05 -1.37e-05 -5.8e-06 ] [ -1.71e-05 -4.36e-05 -5.5e-06 ] [ 3.1e-06 -4.04e-05 2.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.249697764224e-14 9.036276141312001e-14 -6.72914180736e-15 ] [ 1.36185012768e-14 6.600967677696001e-14 -1.714328984256e-14 ] [ 2.114873139456e-14 -2.194981970496e-14 -9.292624400640001e-15 ] [ -2.739722021568e-14 -6.985490066688e-14 -8.8119714144e-15 ] [ 4.96674752448e-15 -6.472793548032e-14 4.197702746496e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }