{ "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" [ [ 1.60665 2.271209 0.858315 ] [ 1.14021 1.706761 3.269891 ] [ 0.6855745 3.746661 2.498398 ] [ 2.590166 5.193842 1.980174 ] [ 3.090456 3.322533 2.927067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60665e-10 2.271209e-10 8.58315e-11 ] [ 1.14021e-10 1.706761e-10 3.269891e-10 ] [ 6.855745e-11 3.746661e-10 2.498398e-10 ] [ 2.590166e-10 5.193842e-10 1.980174e-10 ] [ 3.090456e-10 3.322533e-10 2.927067e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.651088 -0.4433757 0.7350888 ] [ 1.0928092 -2.1326498 0.4929665 ] [ -1.1241027 3.4513489 -0.8364977 ] [ -1.0955111 2.9863245 -1.1740365 ] [ 0.4757167 -3.8616479 0.7824789 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.04315797168343e-09 -7.103661807708346e-10 1.177742089571927e-09 ] [ 1.750873351235151e-09 -3.416881649913795e-09 7.898194011376032e-10 ] [ -1.801011065318156e-09 5.529670517803797e-09 -1.340217058292972e-09 ] [ -1.755202272246891e-09 4.784619296022249e-09 -1.881013832265859e-09 ] [ 7.621821748641273e-10 -6.187041983141416e-09 1.253669399849301e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.865588 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.061294430644503e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5995989 1.9040589 0.9997395 ] [ 1.2097377 1.8493329 3.416827 ] [ 0.6986859 3.9049868 2.1403351 ] [ 2.4906753 5.4405187 2.4642469 ] [ 3.1143588 3.1421088 2.5126964 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5995989e-10 1.9040589e-10 9.997395000000001e-11 ] [ 1.2097377e-10 1.8493329e-10 3.416827e-10 ] [ 6.986859e-11 3.9049868e-10 2.1403351e-10 ] [ 2.4906753e-10 5.440518700000001e-10 2.4642469e-10 ] [ 3.1143588e-10 3.1421088e-10 2.5126964e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.8e-06 4.02e-05 -1.07e-05 ] [ -1.43e-05 -1.16e-05 -7.3e-06 ] [ -3.1e-05 -5.42e-05 2.84e-05 ] [ 3.4e-05 4.21e-05 -4.24e-05 ] [ 5.5e-06 -1.65e-05 3.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.292624400640001e-15 6.440750015616e-14 -1.714328984256e-14 ] [ -2.291112567744e-14 -1.858524880128e-14 -1.169588933184e-14 ] [ -4.96674752448e-14 -8.683797284736e-14 4.550181603071999e-14 ] [ 5.44740051072e-14 6.745163573568001e-14 -6.793228872192001e-14 ] [ 8.8119714144e-15 -2.64359142432e-14 5.159008718975999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.106817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260161239130399e-18 } }