{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0892294 -1.3333365 -2.1680182 ] [ 1.0136951 -9.9996123 4.6671884 ] [ -12.2065671 2.6004275 -5.0655678 ] [ -1.6158961 -1.3825873 -8.7095791 ] [ 0.0383751 2.7604611 8.7705009 ] [ 5.2092699 0.6137971 -7.1061088 ] [ 7.6503525 6.7408503 9.6115844 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.429612597458396e-10 -2.13624058555934e-09 -3.473548102126739e-09 ] [ 1.624118603220293e-09 -1.6021145176119e-08 7.477660200955844e-09 ] [ -1.955707658897314e-08 4.166344178911034e-09 -8.115934367102784e-09 ] [ -2.588950974391728e-09 -2.215149066525148e-09 -1.395428412599475e-08 ] [ 6.14836885474134e-11 4.422746273485938e-09 1.405189161045597e-08 ] [ 8.346170513979515e-09 9.834113716369612e-10 -1.138524147802178e-08 ] [ 1.225721601736348e-08 1.080003284395189e-08 1.539945594139891e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.74863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.561902719951142e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1467728 1.2514979 1.3368234 ] [ 2.5190741 2.2667964 3.4049635 ] [ 2.0990386 4.6101573 3.029428 ] [ 4.9143031 2.8570714 1.3327956 ] [ 4.8215132 3.0394685 3.781981 ] [ 3.9610674 5.0690364 1.4185626 ] [ 4.3143158 5.4210922 3.8741459 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1467728e-10 1.2514979e-10 1.3368234e-10 ] [ 2.5190741e-10 2.2667964e-10 3.4049635e-10 ] [ 2.0990386e-10 4.6101573e-10 3.029428e-10 ] [ 4.9143031e-10 2.8570714e-10 1.3327956e-10 ] [ 4.8215132e-10 3.0394685e-10 3.781981e-10 ] [ 3.9610674e-10 5.0690364e-10 1.4185626e-10 ] [ 4.3143158e-10 5.4210922e-10 3.8741459e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-06 -1.78e-05 -2.14e-05 ] [ -1.24e-05 -2.1e-06 2.9e-06 ] [ 1.07e-05 1.55e-05 4.9e-06 ] [ 9.5e-06 5.8e-06 -1.14e-05 ] [ 7.4e-06 1.28e-05 2.66e-05 ] [ -1.34e-05 -8.3e-06 1.27e-05 ] [ 5e-07 -5.9e-06 -1.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.845223921599999e-15 -2.851874408519999e-14 -3.42865799676e-14 ] [ -1.98669902616e-14 -3.364570931399999e-15 4.6463122386e-15 ] [ 1.71432899838e-14 2.4833737827e-14 7.850665506599998e-15 ] [ 1.5220678023e-14 9.2926244772e-15 -1.82648136276e-14 ] [ 1.18561070916e-14 2.05078609152e-14 4.26178984644e-14 ] [ -2.14691668956e-14 -1.32980660622e-14 2.03476432518e-14 ] [ 8.010883169999999e-16 -9.452842140600001e-15 -2.30713435296e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.063307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.894060840816863e-18 } }