{ "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" [ [ 0.9701738 0.435353 0.8614305 ] [ 0.785215 2.880742 2.663197 ] [ 2.41347 1.4145 0.9828772 ] [ 2.657499 1.219941 2.828683 ] [ 1.63309 2.566255 0.271655 ] [ 2.657105 2.943765 2.654332 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.701738e-11 4.35353e-11 8.614305e-11 ] [ 7.85215e-11 2.880742e-10 2.663197e-10 ] [ 2.41347e-10 1.4145e-10 9.828772e-11 ] [ 2.657499e-10 1.219941e-10 2.828683e-10 ] [ 1.63309e-10 2.566255e-10 2.71655e-11 ] [ 2.657105e-10 2.943765e-10 2.654332e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.7578134 -8.761682 -3.1653884 ] [ -9.1824792 5.4046208 5.3250841 ] [ 19.3294454 -14.3104315 -1.5038037 ] [ 4.5893316 -11.4477102 12.5388666 ] [ -12.0539305 18.0848562 -16.6890494 ] [ 6.0754461 11.0303466 3.4942908 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.403156387880896e-08 -1.403776205928419e-08 -5.071511290231518e-09 ] [ -1.471195349522229e-08 8.659157090049393e-09 8.531725248813809e-09 ] [ 3.096918551291011e-08 -2.292783878285987e-08 -2.409359130412537e-09 ] [ 7.352919794618658e-09 -1.834125364413369e-08 2.008947891784999e-08 ] [ -1.931252563584806e-08 2.897513379416993e-08 -2.673880477205626e-08 ] [ 9.733937702350538e-09 1.767256344184077e-08 5.598471026036528e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.7696248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.437428102947876e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3029867 0.5344026 1.4994516 ] [ 0.4757819 2.9321416 1.9783697 ] [ 2.5774679 0.7731748 0.6173526 ] [ 3.7220272 1.3240572 2.6201704 ] [ 1.8373755 3.010135 -0.0583832 ] [ 2.2009136 2.8866448 3.6052135 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.029867e-11 5.344026e-11 1.4994516e-10 ] [ 4.757819e-11 2.9321416e-10 1.9783697e-10 ] [ 2.5774679e-10 7.731748e-11 6.173526e-11 ] [ 3.7220272e-10 1.3240572e-10 2.6201704e-10 ] [ 1.8373755e-10 3.010135e-10 -5.838320000000001e-12 ] [ 2.2009136e-10 2.8866448e-10 3.6052135e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.48e-05 2.71e-05 2.29e-05 ] [ 1.21e-05 -2.78e-05 -3.88e-05 ] [ -3.89e-05 -2.64e-05 -2.95e-05 ] [ -2.71e-05 2.42e-05 -3.7e-06 ] [ 9.9e-06 7e-06 3.98e-05 ] [ -1e-06 -4.1e-06 9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.177751261183999e-14 4.341898642368e-14 3.668984461632e-14 ] [ 1.938633711168e-14 -4.454051005824e-14 -6.216445288704e-14 ] [ -6.232467054911999e-14 -4.229746278912e-14 -4.72642103136e-14 ] [ -4.341898642368e-14 3.877267422336e-14 -5.928053496960001e-15 ] [ 1.586154854592e-14 1.12152363456e-14 6.376662950784e-14 ] [ -1.6021766208e-15 -6.568924145279999e-15 1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }