{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.111705 1.964485 2.063826 ] [ 1.996516 4.229048 2.317605 ] [ 3.494235 2.652341 1.536538 ] [ 4.5932 4.863032 2.072185 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.111705e-10 1.964485e-10 2.063826e-10 ] [ 1.996516e-10 4.229048e-10 2.317605e-10 ] [ 3.494235e-10 2.652341e-10 1.536538e-10 ] [ 4.593200000000001e-10 4.863032e-10 2.072185e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4082787 0.3228696 -0.0280029 ] [ 0.0967811 0.7475414 0.2488466 ] [ 0.7886861 -0.06996 -0.1333671 ] [ -1.2937459 -1.0004509 -0.0874766 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.54134587910617e-10 5.172941246870476e-10 -4.486559169460033e-11 ] [ 1.550604157553069e-10 1.197693354160101e-09 3.986962046855693e-10 ] [ 1.263614430569931e-09 -1.12088276391168e-10 -2.136776496038957e-10 ] [ -2.072809434235855e-09 -1.602899042238319e-09 -1.401529633870733e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3342402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.546394938171517e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5846753 2.3824744 1.9870171 ] [ 1.8136539 4.5668378 2.5420964 ] [ 3.7841739 2.2876152 1.4529803 ] [ 4.0131529 4.4719785 2.0080602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5846753e-10 2.3824744e-10 1.9870171e-10 ] [ 1.8136539e-10 4.5668378e-10 2.5420964e-10 ] [ 3.7841739e-10 2.2876152e-10 1.4529803e-10 ] [ 4.0131529e-10 4.4719785e-10 2.0080602e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 8e-07 -3e-07 ] [ 3.3e-06 -1.8e-06 -1.1e-06 ] [ -2.1e-06 2.6e-06 1.3e-06 ] [ -2.8e-06 -1.6e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-15 1.28174129664e-15 -4.8065298624e-16 ] [ 5.28718284864e-15 -2.88391791744e-15 -1.76239428288e-15 ] [ -3.36457090368e-15 4.16565921408e-15 2.08282960704e-15 ] [ -4.48609453824e-15 -2.56348259328e-15 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -6.4872904 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.039378501122028e-18 } }