{ "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" [ [ 3.046952 0.8888341 2.154791 ] [ 1.482397 2.148474 3.156267 ] [ 1.59563 3.780951 1.691413 ] [ 3.247494 1.676883 4.588179 ] [ 3.703607 3.217806 2.519536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.046952e-10 8.888341e-11 2.154791e-10 ] [ 1.482397e-10 2.148474e-10 3.156267e-10 ] [ 1.59563e-10 3.780951e-10 1.691413e-10 ] [ 3.247494e-10 1.676883e-10 4.588179e-10 ] [ 3.703607e-10 3.217806e-10 2.519536e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 40.538558 -22.7207734 5.1781857 ] [ -168.4301576 -16.4057404 25.1962706 ] [ 21.5985091 11.5534584 -2.8539961 ] [ 40.8135823 -17.4544905 4.6876503 ] [ 65.4795081 45.0275458 -32.2081104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.494992986854481e-08 -3.640269194797453e-08 8.296368066700883e-09 ] [ -2.698548607443794e-07 -2.628489371579404e-08 4.036887568667039e-08 ] [ 3.460462632415605e-08 1.851068093786537e-08 -4.572605827274379e-09 ] [ 6.53905673721567e-08 -2.79651766070757e-08 7.510443717146106e-09 ] [ 1.049097370193042e-07 7.214208117276124e-08 -5.160308148302535e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 33.82484 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.419336785030068e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1546953 0.5941599 1.8802588 ] [ 0.7544384 1.6562316 3.2319153 ] [ 1.5964947 4.0894328 1.9368594 ] [ 3.2340466 2.1048099 4.7702537 ] [ 4.336405 3.2683139 2.2908988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1546953e-10 5.941599e-11 1.8802588e-10 ] [ 7.544384e-11 1.6562316e-10 3.2319153e-10 ] [ 1.5964947e-10 4.0894328e-10 1.9368594e-10 ] [ 3.2340466e-10 2.1048099e-10 4.7702537e-10 ] [ 4.336405e-10 3.2683139e-10 2.2908988e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.47e-05 2.3e-06 3.84e-05 ] [ 1.98e-05 -3e-06 -1.49e-05 ] [ 1.18e-05 -1.85e-05 2.62e-05 ] [ -2.42e-05 -1.21e-05 -2.58e-05 ] [ 1.74e-05 3.14e-05 -2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.957376253376001e-14 3.68500622784e-15 6.152358223872e-14 ] [ 3.172309709184e-14 -4.8065298624e-15 -2.387243164992e-14 ] [ 1.890568412544e-14 -2.96402674848e-14 4.197702746496e-14 ] [ -3.877267422336e-14 -1.938633711168e-14 -4.133615681664e-14 ] [ 2.787787320192e-14 5.030834589312e-14 -3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.943993953270549e-18 } }