{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4678404 -2.7179346 -2.376803 ] [ -0.6400204 2.112671 2.0107613 ] [ 0.8952551 2.0620682 -0.9310012 ] [ -0.8394392 -0.6787837 -0.252954 ] [ 1.675648 -1.4514772 0.885362 ] [ -1.0681071 -0.934727 -0.1692294 ] [ -0.4911769 1.6081833 0.8338643 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.495629511457203e-10 -4.3546112729834e-09 -3.808058198847303e-09 ] [ -1.025425721715064e-09 3.384872083642157e-09 3.221594744869415e-09 ] [ 1.434356790871966e-09 3.303797460535139e-09 -1.491628356576745e-09 ] [ -1.344929860823055e-09 -1.087531374720121e-09 -4.052769849378432e-10 ] [ 2.684684050290278e-09 -2.325522835464246e-09 1.41850629734473e-09 ] [ -1.711296224130488e-09 -1.497597746230521e-09 -2.711353882320115e-10 ] [ -7.869521458570196e-10 2.576593685220993e-09 1.335997886379758e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.065317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.21481817863408e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1366751 1.3362766 2.222923 ] [ 2.1483741 2.935911 4.0725686 ] [ 2.8414817 3.6543022 1.7110179 ] [ 4.4647378 1.8709574 2.2124453 ] [ 4.4729712 2.2226421 4.5287403 ] [ 4.0758283 5.3806573 2.7056316 ] [ 3.8826218 4.5152002 4.8115343 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1366751e-10 1.3362766e-10 2.222923e-10 ] [ 2.1483741e-10 2.935911e-10 4.072568600000001e-10 ] [ 2.8414817e-10 3.6543022e-10 1.7110179e-10 ] [ 4.4647378e-10 1.8709574e-10 2.2124453e-10 ] [ 4.4729712e-10 2.2226421e-10 4.5287403e-10 ] [ 4.0758283e-10 5.380657300000001e-10 2.7056316e-10 ] [ 3.8826218e-10 4.5152002e-10 4.8115343e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-05 2.47e-05 1.62e-05 ] [ 1.67e-05 -8.1e-06 2.34e-05 ] [ 2.71e-05 -3.28e-05 3.1e-06 ] [ 1.18e-05 2.4e-06 -2.88e-05 ] [ -1.65e-05 1.17e-05 -1.51e-05 ] [ 7.5e-06 4.7e-06 5.5e-06 ] [ -3.06e-05 -2.6e-06 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-14 3.957376253376001e-14 2.595526125696e-14 ] [ 2.675634956736e-14 -1.297763062848e-14 3.749093292672001e-14 ] [ 4.341898642368e-14 -5.255139316223999e-14 4.96674752448e-15 ] [ 1.890568412544e-14 3.84522388992e-15 -4.614268667904e-14 ] [ -2.64359142432e-14 1.874546646336e-14 -2.419286697408e-14 ] [ 1.2016324656e-14 7.53023011776e-15 8.8119714144e-15 ] [ -4.902660459647999e-14 -4.16565921408e-15 -6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.337068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.418575150601982e-18 } }