{ "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" [ [ 0.09862 0.3102875 1.608695 ] [ 0.216089 2.435481 0.8089597 ] [ 1.587261 0.9923217 0.3598848 ] [ 2.442881 2.780277 0.9615339 ] [ 1.769015 1.574471 2.844855 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.862e-12 3.102875e-11 1.608695e-10 ] [ 2.16089e-11 2.435481e-10 8.089597e-11 ] [ 1.587261e-10 9.923217e-11 3.598848e-11 ] [ 2.442881e-10 2.780277e-10 9.615339e-11 ] [ 1.769015e-10 1.574471e-10 2.844855e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.1580971 -3.1496013 4.1476337 ] [ -5.2629586 5.338188 1.8259101 ] [ 6.4042858 -7.4594761 -6.1744824 ] [ 4.1679425 5.4841177 1.0867528 ] [ -1.1511726 -0.2132284 -0.8858142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.66200596063628e-09 -5.046217567701288e-09 6.645241745782201e-09 ] [ -8.4321892251583e-09 8.55272001103511e-09 2.92543047390259e-09 ] [ 1.026079698168143e-08 -1.195139821083636e-08 -9.892611346821073e-09 ] [ 6.677780030338704e-09 8.786525164655468e-09 1.741169928748938e-09 ] [ -1.84438182622555e-09 -3.416295573705908e-10 -1.419230801612656e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.722625 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.35882455718056e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1009649 0.2243098 1.7014501 ] [ 0.1806859 2.5145517 0.9782671 ] [ 1.8000627 0.7955813 0.3204149 ] [ 2.5465109 3.0128234 0.9321091 ] [ 1.6875713 1.545572 2.6516872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.009649e-11 2.243098e-11 1.7014501e-10 ] [ 1.806859e-11 2.5145517e-10 9.782671e-11 ] [ 1.8000627e-10 7.955813000000001e-11 3.204149e-11 ] [ 2.5465109e-10 3.0128234e-10 9.321091e-11 ] [ 1.6875713e-10 1.545572e-10 2.6516872e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-05 2.6e-05 2.72e-05 ] [ 5.05e-05 -4.58e-05 -2.8e-05 ] [ -3.4e-05 3.81e-05 2.6e-06 ] [ -3.07e-05 -2.17e-05 4.46e-05 ] [ -1.9e-06 3.4e-06 -4.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-14 4.16565921408e-14 4.357920408576e-14 ] [ 8.090991935040001e-14 -7.337968923264e-14 -4.48609453824e-14 ] [ -5.44740051072e-14 6.104292925248e-14 4.16565921408e-15 ] [ -4.918682225856e-14 -3.476723267136e-14 7.145707728768e-14 ] [ -3.04413557952e-15 5.44740051072e-15 -7.434099520512001e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }