{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.1831941 -1.8795854 -2.2726477 ] [ -2.8549064 3.2057462 3.3139273 ] [ 0.5157268 -8.4114223 0.167077 ] [ 4.0796323 1.0755233 3.3617763 ] [ -0.9579573 7.1923937 -2.2765305 ] [ 7.3689196 1.4572349 -2.3350628 ] [ 0.0317791 -2.6398904 0.0414605 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.31109222704885e-08 -3.011427784677016e-09 -3.641183012254892e-09 ] [ -4.574064288652294e-09 5.136171613858441e-09 5.309496843090868e-09 ] [ 8.262854216799975e-10 -1.347658415673576e-08 2.676868632734016e-10 ] [ 6.536291492520532e-09 1.723178286385665e-09 5.386159392219526e-09 ] [ -1.534816789784692e-09 1.152348503372921e-08 -3.647403943638134e-09 ] [ 1.180631070367489e-08 2.334747687793826e-09 -3.741183026259786e-09 ] [ 5.091573105006528e-11 -4.22957068035436e-09 6.64270437866784e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -23.870864 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.824534021909637e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0686055 2.7384829 1.2837733 ] [ 2.3643902 2.7846883 3.7557001 ] [ 3.5840137 1.0471957 2.3881435 ] [ 4.8811262 2.9346847 3.4518373 ] [ 3.19692 4.9898101 1.1300152 ] [ 4.5853316 2.8886066 0.9799034 ] [ 3.4873797 5.0351126 3.5562862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0686055e-10 2.7384829e-10 1.2837733e-10 ] [ 2.3643902e-10 2.7846883e-10 3.7557001e-10 ] [ 3.5840137e-10 1.0471957e-10 2.3881435e-10 ] [ 4.8811262e-10 2.9346847e-10 3.4518373e-10 ] [ 3.19692e-10 4.9898101e-10 1.1300152e-10 ] [ 4.5853316e-10 2.8886066e-10 9.799034e-11 ] [ 3.4873797e-10 5.0351126e-10 3.5562862e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.62e-05 2.3e-05 -3.78e-05 ] [ 8.89e-05 -9.4e-06 5.46e-05 ] [ 4.77e-05 -6e-07 1.84e-05 ] [ -0.0001093 -5.4e-06 -6.42e-05 ] [ 5.27e-05 2.85e-05 -2.66e-05 ] [ -4.24e-05 2.6e-06 7.23e-05 ] [ -2.14e-05 -3.87e-05 -1.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.595526125696e-14 3.68500622784e-14 -6.056227626623999e-14 ] [ 1.4243350158912e-13 -1.506046023552e-14 8.747884349568e-14 ] [ 7.642382481215999e-14 -9.6130597248e-16 2.948004982272e-14 ] [ -1.7511790465344e-13 -8.65175375232e-15 -1.0285973905536e-13 ] [ 8.443470791616e-14 4.56620336928e-14 -4.261789811328e-14 ] [ -6.793228872192001e-14 4.16565921408e-15 1.1583736968384e-13 ] [ -3.428657968511999e-14 -6.200423522496e-14 -2.691656722944e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.566249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.256382305015138e-18 } }