{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4158554 -4.5900793 -3.774497 ] [ -1.8501319 0.3423934 3.8334398 ] [ 1.7199623 3.357906 -3.3165012 ] [ -0.6713106 -0.1335138 1.6370993 ] [ 3.4082792 -1.2364157 3.8387391 ] [ -0.6752104 1.9261294 -2.6959355 ] [ 0.4842668 0.3335801 0.4776556 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.870627041113432e-09 -7.35411774207803e-09 -6.047410848679738e-09 ] [ -2.964238075576283e-09 5.485747005962227e-10 6.141847624804227e-09 ] [ 2.755683385717396e-09 5.379958488044045e-09 -5.313620685495145e-09 ] [ -1.07555814861522e-09 -2.13912688914167e-10 2.622922224388046e-09 ] [ 5.460665251398927e-09 -1.980956328130067e-09 6.150338039370833e-09 ] [ -1.081806317001016e-09 3.085999493315532e-09 -4.319364829284759e-09 ] [ 7.758809451896294e-10 5.344542373841261e-10 7.652886351141965e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.629675 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.145020635890224e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4319357 2.2430831 1.5762965 ] [ 2.7338561 1.9920453 4.1030075 ] [ 3.2909675 4.6530023 1.0338973 ] [ 1.935697 4.3027622 3.1737748 ] [ 4.6622813 3.4213721 2.9536365 ] [ 4.6598495 2.6568748 0.5079377 ] [ 3.4943659 4.1156733 5.1261508 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4319357e-10 2.2430831e-10 1.5762965e-10 ] [ 2.7338561e-10 1.9920453e-10 4.103007500000001e-10 ] [ 3.2909675e-10 4.6530023e-10 1.0338973e-10 ] [ 1.935697e-10 4.3027622e-10 3.1737748e-10 ] [ 4.6622813e-10 3.421372100000001e-10 2.9536365e-10 ] [ 4.6598495e-10 2.6568748e-10 5.079377e-11 ] [ 3.4943659e-10 4.1156733e-10 5.126150799999999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.33e-05 -1.67e-05 -1.3e-06 ] [ -2.8e-06 -1.06e-05 1.6e-06 ] [ -8.3e-06 8.31e-05 -1.5e-06 ] [ -6.77e-05 3.7e-06 2.01e-05 ] [ 9.59e-05 -5.37e-05 -2.4e-06 ] [ -1.79e-05 -4.67e-05 -3.52e-05 ] [ -3.25e-05 4.09e-05 1.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.335248147264001e-14 -2.675634956736e-14 -2.08282960704e-15 ] [ -4.48609453824e-15 -1.698307218048e-14 2.56348259328e-15 ] [ -1.329806595264e-14 1.3314087718848e-13 -2.4032649312e-15 ] [ -1.0846735722816e-13 5.928053496960001e-15 3.220375007808e-14 ] [ 1.5364873793472e-13 -8.603688453696e-14 -3.84522388992e-15 ] [ -2.867896151232001e-14 -7.482164819136e-14 -5.639661705216e-14 ] [ -5.207074017599999e-14 6.552902379072e-14 2.996070280896e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.579661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.777878158058956e-18 } }