{ "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" [ [ 1.718051 2.8648 0.868268 ] [ 1.578738 2.123399 2.800363 ] [ 1.502934 5.103369 1.611601 ] [ 2.373634 3.880614 3.837999 ] [ 3.381701 1.593797 3.943141 ] [ 3.548939 3.24359 2.048233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.718051e-10 2.8648e-10 8.682680000000001e-11 ] [ 1.578738e-10 2.123399e-10 2.800363e-10 ] [ 1.502934e-10 5.103369e-10 1.611601e-10 ] [ 2.373634e-10 3.880614e-10 3.837999e-10 ] [ 3.381701e-10 1.593797e-10 3.943141e-10 ] [ 3.548939e-10 3.24359e-10 2.048233e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8934173 0.4605435 -3.5842939 ] [ -4.6605229 -3.9217892 1.5743172 ] [ 0.0162486 0.2967229 0.1426805 ] [ -0.8098251 3.8871352 2.8736841 ] [ 1.8660772 -1.7158137 0.9740886 ] [ 4.4814394 0.9932014 -1.9804764 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.43141231067826e-09 7.378720285614048e-10 -5.742671888656053e-09 ] [ -7.466980831083016e-09 -6.283398967945935e-09 2.522334211563318e-09 ] [ 2.603312704073088e-11 4.754024932359763e-10 2.285993613440544e-10 ] [ -1.297482842157022e-09 6.227877139328732e-09 4.60414948058469e-09 ] [ 2.989785262447926e-09 -2.749036595788345e-09 1.560661981507803e-09 ] [ 7.18005743421198e-09 1.591284062825829e-09 -3.173072986126149e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.357952 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.81974451545686e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6159151 2.7551794 0.8499395 ] [ 1.1419069 1.7891569 2.96017 ] [ 2.1913536 4.9053096 1.9634479 ] [ 1.7173251 3.939287 4.073678 ] [ 3.4817437 2.2273068 3.6863047 ] [ 3.9557526 3.1933293 1.5760649 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6159151e-10 2.7551794e-10 8.499395e-11 ] [ 1.1419069e-10 1.7891569e-10 2.960170000000001e-10 ] [ 2.1913536e-10 4.9053096e-10 1.9634479e-10 ] [ 1.7173251e-10 3.939287000000001e-10 4.073678e-10 ] [ 3.4817437e-10 2.2273068e-10 3.6863047e-10 ] [ 3.9557526e-10 3.1933293e-10 1.5760649e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-06 4.5e-06 -3.87e-05 ] [ 2.5e-05 2.76e-05 4e-06 ] [ -2.11e-05 -1.87e-05 9.1e-06 ] [ 1.66e-05 -5.2e-06 6.1e-06 ] [ -6.4e-06 1.54e-05 -1.63e-05 ] [ -1e-05 -2.36e-05 3.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.568924145279999e-15 7.2097947936e-15 -6.200423522496e-14 ] [ 4.005441552e-14 4.422007473408001e-14 6.4087064832e-15 ] [ -3.380592669888e-14 -2.996070280896e-14 1.457980724928e-14 ] [ 2.659613190528e-14 -8.33131842816e-15 9.77327738688e-15 ] [ -1.025393037312e-14 2.467351996032e-14 -2.611547891904e-14 ] [ -1.6021766208e-14 -3.781136825088e-14 5.735792302464001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.328753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295719306181786e-18 } }