{ "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" [ [ 0.099853 0.7165901 0.5986145 ] [ 0.2043706 1.471965 2.579922 ] [ 1.736021 0.3195483 2.600696 ] [ 1.725047 2.389347 1.166635 ] [ 1.83697 2.73027 2.853175 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.9853e-12 7.165901e-11 5.986145000000001e-11 ] [ 2.043706e-11 1.471965e-10 2.579922e-10 ] [ 1.736021e-10 3.195483e-11 2.600696e-10 ] [ 1.725047e-10 2.389347e-10 1.166635e-10 ] [ 1.83697e-10 2.73027e-10 2.853175e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.0057842 -5.3311218 -12.5936584 ] [ -36.0145546 8.6073801 11.911342 ] [ 24.5576911 -31.2165628 7.8664872 ] [ 7.1051374 4.9947067 -51.9692546 ] [ 11.3575102 22.9455979 44.7850837 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.122450365561003e-08 -8.541398710597214e-09 -2.017726505882154e-08 ] [ -5.770167738864509e-08 1.379054316255917e-08 1.908407367475311e-08 ] [ 3.934575854124823e-08 -5.001444709989498e-08 1.260350187966245e-08 ] [ 1.13836850298517e-08 8.00240230249312e-09 -8.326392472052286e-08 ] [ 1.819673731293753e-08 3.676290050565758e-08 7.175361406471117e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.406003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.788749106817466e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1406555 0.9816934 0.5081358 ] [ 0.0396362 1.2432359 2.9401481 ] [ 1.8990268 -0.4107659 3.0655213 ] [ 1.7618856 2.830995 0.4143964 ] [ 1.7610575 2.982562 2.8708408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.406555e-11 9.816934e-11 5.081358e-11 ] [ 3.963620000000001e-12 1.2432359e-10 2.9401481e-10 ] [ 1.8990268e-10 -4.107659e-11 3.0655213e-10 ] [ 1.7618856e-10 2.830995e-10 4.143964e-11 ] [ 1.7610575e-10 2.982562e-10 2.8708408e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.94e-05 1.35e-05 -4.6e-05 ] [ 1.43e-05 -1.78e-05 3.16e-05 ] [ 2e-07 2.17e-05 1.91e-05 ] [ 9.8e-06 -1.3e-06 -1.24e-05 ] [ -4.9e-06 -1.6e-05 7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.108222644352e-14 2.16293843808e-14 -7.37001245568e-14 ] [ 2.291112567744e-14 -2.851874385024e-14 5.062878121728e-14 ] [ 3.2043532416e-16 3.476723267136e-14 3.060157345728e-14 ] [ 1.570133088384e-14 -2.08282960704e-15 -1.986699009792e-14 ] [ -7.850665441919999e-15 -2.56348259328e-14 1.249697764224e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.027456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.927010881090069e-18 } }