{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3186375 -1.2940829 1.1954174 ] [ 0.4131317 0.4767282 -1.4467301 ] [ -0.6282798 -1.4565404 -0.2922185 ] [ -1.2304523 -0.1486258 0.4782853 ] [ -0.3843702 0.9145414 -1.2809127 ] [ 1.6664623 1.7325777 0.2420519 ] [ 0.4821458 -0.2245982 1.1041067 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.1051355301016e-10 -2.073349367757065e-09 1.915269810377522e-09 ] [ 6.619099510513594e-10 7.638027765160666e-10 -2.317917142827646e-09 ] [ -1.0066152068809e-09 -2.33363497613068e-09 -4.681856488652449e-10 ] [ -1.971401908069588e-09 -2.381247820076966e-10 7.662975257323143e-10 ] [ -6.158289481722202e-10 1.465256849833701e-09 -2.052248381225804e-09 ] [ 2.669966936504596e-09 2.775895484659436e-09 3.878098952002195e-10 ] [ 7.724827285769126e-10 -3.598459851137626e-10 1.768973941608639e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.179733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.233149642658625e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1998538 2.4384469 1.831409 ] [ 3.3743086 4.1772779 0.825394 ] [ 2.6172734 3.3591418 4.001408 ] [ 5.3984564 3.2164548 1.6101399 ] [ 4.2151437 1.5762889 2.8890222 ] [ 4.2905563 4.9508406 2.9829531 ] [ 4.9704588 3.1769352 4.5379698 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1998538e-10 2.4384469e-10 1.831409e-10 ] [ 3.3743086e-10 4.1772779e-10 8.25394e-11 ] [ 2.6172734e-10 3.3591418e-10 4.001408e-10 ] [ 5.3984564e-10 3.2164548e-10 1.6101399e-10 ] [ 4.2151437e-10 1.5762889e-10 2.8890222e-10 ] [ 4.2905563e-10 4.9508406e-10 2.9829531e-10 ] [ 4.9704588e-10 3.1769352e-10 4.5379698e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.84e-05 3.29e-05 -2.7e-06 ] [ -7.4e-06 7.8e-06 -2.49e-05 ] [ -1e-07 -1.17e-05 2.07e-05 ] [ -1.8e-06 -8.9e-06 -5.5e-06 ] [ -1.3e-06 2.2e-06 1.2e-05 ] [ -1.76e-05 -3.52e-05 2.4e-06 ] [ -2e-07 1.3e-05 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.550181603071999e-14 5.271161082432e-14 -4.32587687616e-15 ] [ -1.185610699392e-14 1.249697764224e-14 -3.989419785791999e-14 ] [ -1.6021766208e-16 -1.874546646336e-14 3.316505605055999e-14 ] [ -2.88391791744e-15 -1.425937192512e-14 -8.8119714144e-15 ] [ -2.08282960704e-15 3.52478856576e-15 1.92261194496e-14 ] [ -2.819830852608e-14 -5.639661705216e-14 3.84522388992e-15 ] [ -3.2043532416e-16 2.08282960704e-14 -3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.786315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.490552454638435e-18 } }