{ "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" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.0430455 -0.133121 0.8366103 ] [ -11.7431029 4.6980744 -2.8147493 ] [ 32.5781926 -42.8983891 36.3433971 ] [ -11.9076079 29.8464208 -23.5332546 ] [ 9.1155637 8.487015 -10.8320035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.890814590629885e-08 -2.13283355694714e-10 1.34039747442373e-09 ] [ -1.881452507703764e-08 7.527145028473568e-09 -4.509725559027856e-09 ] [ 5.21960189616717e-08 -6.873079665226028e-08 5.822854163380335e-08 ] [ -1.90780911442138e-08 4.781923801429158e-08 -3.770443064209301e-08 ] [ 1.460474316587858e-08 1.359769712540751e-08 -1.735478290710622e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.1259037 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.462130967227414e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1136617 1.1940604 2.4518777 ] [ 0.0214983 2.282624 0.1117966 ] [ 3.4054306 -0.4912985 2.4951522 ] [ 2.3204721 1.640888 2.6542354 ] [ 2.5527334 2.7023465 0.421531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.136617e-11 1.1940604e-10 2.4518777e-10 ] [ 2.14983e-12 2.282624e-10 1.117966e-11 ] [ 3.4054306e-10 -4.912985000000001e-11 2.4951522e-10 ] [ 2.3204721e-10 1.640888e-10 2.6542354e-10 ] [ 2.5527334e-10 2.7023465e-10 4.21531e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-06 -9.8e-06 2.22e-05 ] [ 1.66e-05 6.7e-06 -7.7e-06 ] [ -4e-06 1.44e-05 -2.9e-06 ] [ -5e-06 -1.44e-05 2.9e-06 ] [ 1.4e-06 3.1e-06 -1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.4419589706e-14 -1.57013310132e-14 3.55683212748e-14 ] [ 2.65961321244e-14 1.07345834478e-14 -1.23367600818e-14 ] [ -6.408706535999999e-15 2.30713435296e-14 -4.6463122386e-15 ] [ -8.010883169999999e-15 -2.30713435296e-14 4.6463122386e-15 ] [ 2.2430472876e-15 4.9667475654e-15 -2.33917788564e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196954159838e-18 } }