{ "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" [ [ 0.6305471 0.004372 1.304235 ] [ 0.7154426 1.383697 2.938133 ] [ 2.486494 1.164331 0.5043625 ] [ 2.840403 0.4835428 2.252778 ] [ 2.544628 2.936148 1.00011 ] [ 2.473494 2.502288 2.980444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.305471000000001e-11 4.372e-13 1.304235e-10 ] [ 7.154426000000001e-11 1.383697e-10 2.938133e-10 ] [ 2.486494e-10 1.164331e-10 5.043625000000001e-11 ] [ 2.840403e-10 4.835428e-11 2.252778e-10 ] [ 2.544628e-10 2.936148e-10 1.00011e-10 ] [ 2.473494e-10 2.502288e-10 2.980444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3986218 -4.5097947 -3.7337608 ] [ -8.1153622 0.4870193 5.0945756 ] [ -0.9817714 -13.8379196 -25.153761 ] [ 9.0461749 -15.309533 14.4121207 ] [ 0.5217999 23.690273 -4.9785257 ] [ 3.9277805 9.479955 14.3593511 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.047369011701214e-09 -7.22548763294775e-09 -5.982144261419505e-09 ] [ -1.300224358616405e-08 7.802909363383815e-10 8.162409919218133e-09 ] [ -1.572971184050085e-09 -2.217079126363008e-08 -4.030076779939083e-08 ] [ 1.449356993244778e-08 -2.452857584796609e-08 2.309076284168773e-08 ] [ 8.360156005157779e-10 3.795600154096948e-08 -7.976477482591954e-09 ] [ 6.292998088734134e-09 1.518856226723606e-08 2.300621662227876e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.052244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288057356977076e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2783125 0.2600504 1.1000903 ] [ 0.2339287 1.4131077 3.1378644 ] [ 2.448444 0.7707617 0.3338873 ] [ 3.7383375 0.5365168 2.3645958 ] [ 2.6052207 3.1206937 0.8776881 ] [ 2.3867653 2.3732485 3.1659367 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.783125e-11 2.600504e-11 1.1000903e-10 ] [ 2.339287e-11 1.4131077e-10 3.1378644e-10 ] [ 2.448444e-10 7.707617e-11 3.338873e-11 ] [ 3.7383375e-10 5.365168e-11 2.3645958e-10 ] [ 2.6052207e-10 3.1206937e-10 8.776881e-11 ] [ 2.3867653e-10 2.3732485e-10 3.1659367e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 -1.5e-06 -9.9e-06 ] [ 4.5e-06 3e-06 1.7e-06 ] [ 1.6e-06 2.3e-06 -2.7e-06 ] [ 1.2e-06 -4.4e-06 9.4e-06 ] [ -1.19e-05 -2.8e-06 3e-07 ] [ 8.5e-06 3.4e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.4087064832e-15 -2.4032649312e-15 -1.586154854592e-14 ] [ 7.2097947936e-15 4.8065298624e-15 2.72370025536e-15 ] [ 2.56348259328e-15 3.68500622784e-15 -4.32587687616e-15 ] [ 1.92261194496e-15 -7.04957713152e-15 1.506046023552e-14 ] [ -1.906590178752e-14 -4.48609453824e-15 4.8065298624e-16 ] [ 1.36185012768e-14 5.44740051072e-15 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.824992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.375225558594703e-18 } }