{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.5806083 9.5805498 3.5546763 ] [ 5.0153269 2.9011082 -2.9736266 ] [ 5.6474725 -5.2271928 11.8496492 ] [ -4.9697034 5.0448937 -11.8606783 ] [ -3.1920179 -0.687281 3.3505225 ] [ -7.2583775 -9.3982508 -3.5436472 ] [ -1.8233089 -2.2138273 -0.376896 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.054329676890243e-08 1.534973290397011e-08 5.695219262371847e-09 ] [ 8.03543950484934e-09 4.648087732451171e-09 -4.764275017508993e-09 ] [ 9.048248406110928e-09 -8.37488609657409e-09 1.898523091292142e-08 ] [ -7.962342599790272e-09 8.08281074056121e-09 -1.900290147908989e-08 ] [ -5.114176452555112e-09 -1.101145550120045e-09 5.368128816964368e-09 ] [ -1.162920273544075e-08 -1.50576577081749e-08 -5.677548696203382e-09 ] [ -2.921262892076565e-09 -3.546942342548788e-09 -6.038539596730368e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4293851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.190318711413987e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0759892 2.3459388 0.7799089 ] [ 4.4397378 1.4344038 3.9533983 ] [ 1.1537999 5.1090747 2.4436873 ] [ 1.8635109 4.2850084 4.3599235 ] [ 4.0576806 0.7008527 1.8830413 ] [ 3.0075251 4.4636852 1.4070871 ] [ 3.7706815 3.2957893 4.9360296 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0759892e-10 2.3459388e-10 7.799089e-11 ] [ 4.4397378e-10 1.4344038e-10 3.9533983e-10 ] [ 1.1537999e-10 5.1090747e-10 2.4436873e-10 ] [ 1.8635109e-10 4.2850084e-10 4.3599235e-10 ] [ 4.0576806e-10 7.008527e-11 1.8830413e-10 ] [ 3.0075251e-10 4.4636852e-10 1.4070871e-10 ] [ 3.7706815e-10 3.2957893e-10 4.936029600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.835823 0.1119981 0.330002 ] [ -0.4358529 -0.54864 -2.2843755 ] [ 0.9713088 0.1330142 -0.5299314 ] [ 2.470444 -1.1015223 1.5117591 ] [ 0.1284946 1.6128205 2.4998671 ] [ -1.4536366 -0.5511462 -0.5038522 ] [ -2.516581 0.3434757 -1.023469 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.339136069726919e-09 1.794407373940205e-10 5.287214892172417e-10 ] [ -6.983133264878802e-10 -8.790181812357121e-10 -3.65997301922831e-09 ] [ 1.556208250937303e-09 2.131122414744153e-10 -8.490436997078132e-10 ] [ 3.958087619795635e-09 -1.764833276349844e-09 2.422105086301649e-09 ] [ 2.058710440190477e-10 2.584023298646966e-09 4.005228622727095e-09 ] [ -2.328982575659201e-09 -8.83033556282761e-10 -8.072602151786457e-10 ] [ -4.032007242549485e-09 5.503087363529146e-10 -1.639778103913555e-09 ] ] } "relaxed-potential-energy" { "source-value" -16.850903 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.699812282596858e-18 } }