{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.5951644 -9.5428065 -6.7031486 ] [ -3.3645933 -4.4197329 18.9076485 ] [ -15.7745987 13.9729777 -5.4827173 ] [ 1.5013101 -7.4014262 -6.2087749 ] [ 15.7191759 -7.1500734 8.5262628 ] [ 5.818959 2.7476718 -14.537456 ] [ 7.6949115 11.7933895 5.4981854 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.857750131601246e-08 -1.528926147111828e-08 -1.073962797266825e-08 ] [ -5.390672723760321e-09 -7.081192722560584e-09 3.029339238100419e-08 ] [ -2.527369323964207e-08 2.238717819389976e-08 -8.7842814765157e-09 ] [ 2.40536394279091e-09 -1.185839201821659e-08 -9.947553988589858e-09 ] [ 2.51848961252228e-08 -1.145568043848397e-08 1.366057892095675e-08 ] [ 9.323000067193749e-09 4.402255519591453e-09 -2.329157212910869e-08 ] [ 1.232860730442506e-08 1.88950929368882e-08 8.809064104703895e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.46619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.553448581250753e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5723264 2.2059506 2.6928671 ] [ 2.4749198 2.0528286 4.9075036 ] [ 1.9254762 4.522807 2.1912103 ] [ 3.8123446 1.736165 1.8295962 ] [ 4.6271483 2.5602117 3.9838131 ] [ 4.0126927 3.8824174 0.7666009 ] [ 4.2926811 4.7973315 3.1915839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5723264e-10 2.2059506e-10 2.6928671e-10 ] [ 2.4749198e-10 2.0528286e-10 4.9075036e-10 ] [ 1.9254762e-10 4.522807e-10 2.1912103e-10 ] [ 3.8123446e-10 1.736165e-10 1.8295962e-10 ] [ 4.6271483e-10 2.5602117e-10 3.9838131e-10 ] [ 4.0126927e-10 3.8824174e-10 7.666009000000001e-11 ] [ 4.2926811e-10 4.7973315e-10 3.1915839e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.89e-05 -1.77e-05 -7.1e-06 ] [ -9.3e-06 3.2e-06 8e-07 ] [ 2.07e-05 1.18e-05 -4.8e-06 ] [ 7e-06 7.8e-06 -1.4e-06 ] [ 3.76e-05 -3.7e-06 3.08e-05 ] [ -1.8e-05 1.29e-05 -5e-06 ] [ -9.1e-06 -1.44e-05 -1.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.630290434112001e-14 -2.835852618816e-14 -1.137545400768e-14 ] [ -1.490024257344e-14 5.126965186560001e-15 1.28174129664e-15 ] [ 3.316505605055999e-14 1.890568412544e-14 -7.69044777984e-15 ] [ 1.12152363456e-14 1.249697764224e-14 -2.24304726912e-15 ] [ 6.024184094208e-14 -5.928053496960001e-15 4.934703992064001e-14 ] [ -2.88391791744e-14 2.066807840832e-14 -8.010883104e-15 ] [ -1.457980724928e-14 -2.307134333952e-14 -2.130894905664e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }