{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7607129 0.1029019 2.480933 ] [ 0.9158836 2.552597 0.2381701 ] [ 0.8989231 2.268448 2.632769 ] [ 2.109562 0.2713555 0.0459784 ] [ 2.969591 1.985029 0.1686784 ] [ 2.973458 2.362165 2.304699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.607129000000001e-11 1.029019e-11 2.480933e-10 ] [ 9.158836e-11 2.552597e-10 2.381701e-11 ] [ 8.989231e-11 2.268448e-10 2.632769e-10 ] [ 2.109562e-10 2.713555e-11 4.59784e-12 ] [ 2.969591e-10 1.985029e-10 1.686784e-11 ] [ 2.973458e-10 2.362165e-10 2.304699e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7215339 -1.1726926 -2.5123946 ] [ -3.9016709 0.777439 0.2598252 ] [ -3.9309142 2.290033 1.2038202 ] [ -4.9551492 -7.8762892 1.9379809 ] [ 8.1486651 6.6361726 -2.6316393 ] [ 2.9175353 -0.6546628 1.7424077 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.758201366494645e-09 -1.878860667105166e-09 -4.025299890344168e-09 ] [ -6.251165898035695e-09 1.245594589898131e-09 4.162858609346841e-10 ] [ -6.298018829610736e-09 3.669037333460487e-09 1.92873258008678e-09 ] [ -7.939024200815824e-09 -1.261920641489954e-08 3.104987689536943e-09 ] [ 1.30556007139489e-08 1.063232059131355e-08 -4.216350960838477e-09 ] [ 4.674406848018714e-09 -1.048885432667466e-09 2.7916448808419e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.640361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.185426749347211e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7276614 0.312762 2.2212803 ] [ 0.7814455 2.2444241 0.431126 ] [ 0.6598998 2.6968416 2.9091196 ] [ 2.3282688 0.1177825 0.2774992 ] [ 3.2192863 2.3850642 -0.198999 ] [ 2.9115688 1.785622 2.2312019 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.276614e-11 3.12762e-11 2.2212803e-10 ] [ 7.814455e-11 2.2444241e-10 4.31126e-11 ] [ 6.598998000000001e-11 2.6968416e-10 2.9091196e-10 ] [ 2.3282688e-10 1.177825e-11 2.774992e-11 ] [ 3.2192863e-10 2.3850642e-10 -1.98999e-11 ] [ 2.9115688e-10 1.785622e-10 2.2312019e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.16e-05 2.8e-05 -3.2e-06 ] [ 8e-06 -3.8e-06 1.18e-05 ] [ 9.9e-06 -3.01e-05 -1.88e-05 ] [ -9.3e-06 9.4e-06 2.2e-05 ] [ 1e-07 5.9e-06 -4.4e-06 ] [ -2.02e-05 -9.3e-06 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.858524880128e-14 4.48609453824e-14 -5.126965186560001e-15 ] [ 1.28174129664e-14 -6.08827115904e-15 1.890568412544e-14 ] [ 1.586154854592e-14 -4.822551628608e-14 -3.012092047104e-14 ] [ -1.490024257344e-14 1.506046023552e-14 3.52478856576e-14 ] [ 1.6021766208e-16 9.45284206272e-15 -7.04957713152e-15 ] [ -3.236396774016e-14 -1.490024257344e-14 -1.169588933184e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.784895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.169889621398282e-18 } }