{ "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" [ [ 1.367579 2.331666 2.560265 ] [ 1.247063 4.506514 1.455264 ] [ 1.553057 4.10894 4.144146 ] [ 3.394871 3.002275 1.909157 ] [ 3.306653 2.229629 4.162494 ] [ 4.84835 4.310072 3.519856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.367579e-10 2.331666e-10 2.560265e-10 ] [ 1.247063e-10 4.506514e-10 1.455264e-10 ] [ 1.553057e-10 4.10894e-10 4.144146e-10 ] [ 3.394871e-10 3.002275e-10 1.909157e-10 ] [ 3.306653e-10 2.229629e-10 4.162494e-10 ] [ 4.84835e-10 4.310072e-10 3.519856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.392824 10.5771894 2.9990729 ] [ 0.1383393 -3.1485799 1.5954216 ] [ -0.7872384 -6.3197149 -5.5379817 ] [ -3.1469646 -3.4781645 7.7645693 ] [ 0.4030397 2.36927 -6.821082 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.435903291289139e-09 1.694652557045358e-08 4.805044484454856e-09 ] [ 2.216439921978374e-10 -5.044581104500802e-09 2.55614718783933e-09 ] [ -1.261294959475999e-09 -1.012529946290141e-08 -8.87282480615824e-09 ] [ -5.041993108605224e-09 -5.572633845196522e-09 1.244021140304142e-08 ] [ 6.457407845942459e-10 3.795989002362817e-09 -1.092857810895971e-08 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -3.8869452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.22757272577078e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2615648 3.5057085 2.6891157 ] [ 1.0613637 4.0769606 0.5738919 ] [ 1.5257972 3.3920025 4.8709892 ] [ 3.9169441 3.1489309 3.0590304 ] [ 2.7880612 1.4405113 3.8636593 ] [ 5.1638422 4.9249822 2.6944954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2615648e-10 3.5057085e-10 2.6891157e-10 ] [ 1.0613637e-10 4.0769606e-10 5.738919000000001e-11 ] [ 1.5257972e-10 3.3920025e-10 4.870989200000001e-10 ] [ 3.9169441e-10 3.1489309e-10 3.0590304e-10 ] [ 2.7880612e-10 1.4405113e-10 3.8636593e-10 ] [ 5.1638422e-10 4.924982199999999e-10 2.6944954e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0121802 -0.0058456 0.101152 ] [ -0.0054711 0.0084126 -0.0509477 ] [ -0.0067091 -0.002567 -0.0502043 ] [ 0.031275 0.0448637 -0.0106378 ] [ -0.0295822 -0.0435532 0.0153423 ] [ -0.0016928 -0.0013105 -0.0047045 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.951483167666816e-11 -9.365683654548482e-12 1.620633695471616e-10 ] [ -8.76566851005888e-12 1.347847104014208e-11 -8.162721382353216e-11 ] [ -1.074916316660928e-11 -4.1127873855936e-12 -8.043615572362944e-11 ] [ 5.010807381552e-11 7.187957126258495e-11 -1.704363445674624e-11 ] [ -4.739590923182976e-11 -6.977991880102657e-11 2.458107436929984e-11 ] [ -2.71216458369024e-12 -2.0996524615584e-12 -7.537439912553601e-12 ] ] } "relaxed-potential-energy" { "source-value" -11.303423 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.8110080065613e-18 } }