{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9403568 -6.6640143 -6.7050975 ] [ -6.6051381 -4.5266678 3.1079901 ] [ 0.9836341 2.5451062 3.5143887 ] [ -3.1969277 8.9770354 -0.3229298 ] [ 0.8734467 -2.4359088 -0.4602314 ] [ 6.3170809 2.0359229 -2.9543621 ] [ 2.5682609 0.0685264 3.8202421 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.506617680170302e-09 -1.067692791213688e-08 -1.074275045468453e-08 ] [ -1.058259784097533e-08 -7.252521319288171e-09 4.979549075897854e-09 ] [ 1.575955558441649e-09 4.077709651093129e-09 5.630671411543705e-09 ] [ -5.122042819327916e-09 1.438279624197398e-08 -5.173905757196198e-10 ] [ 1.399415882254911e-09 -3.902756129760983e-09 -7.373719892380531e-10 ] [ 1.012107932968222e-08 3.261908072131337e-09 -4.733409885997592e-09 ] [ 4.114807570094766e-09 1.097913959875891e-10 6.120702578415897e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.258367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.444659887898623e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9403335 0.8386716 2.0906426 ] [ 0.9381434 0.900682 4.2271071 ] [ 2.2277168 2.7274255 4.9838797 ] [ 2.3329598 3.247515 2.5565172 ] [ 4.1910072 0.363311 2.7327466 ] [ 4.6957313 2.8126085 2.6056504 ] [ 4.401593 1.7472288 4.8525124 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9403335e-10 8.386716e-11 2.0906426e-10 ] [ 9.381434e-11 9.00682e-11 4.2271071e-10 ] [ 2.2277168e-10 2.7274255e-10 4.9838797e-10 ] [ 2.3329598e-10 3.247515e-10 2.5565172e-10 ] [ 4.1910072e-10 3.63311e-11 2.7327466e-10 ] [ 4.6957313e-10 2.8126085e-10 2.6056504e-10 ] [ 4.401593e-10 1.7472288e-10 4.8525124e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.56e-05 2.7e-06 2.54e-05 ] [ -3.4e-06 -2.01e-05 -1.16e-05 ] [ -4e-06 2.8e-05 3.69e-05 ] [ 4.4e-06 -1.78e-05 -5.05e-05 ] [ -4.4e-06 8.1e-06 -2.98e-05 ] [ 1.54e-05 1.8e-05 3.5e-06 ] [ 7.6e-06 -1.89e-05 2.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.499395528448e-14 4.32587687616e-15 4.069528616832e-14 ] [ -5.44740051072e-15 -3.220375007808e-14 -1.858524880128e-14 ] [ -6.4087064832e-15 4.48609453824e-14 5.912031730752001e-14 ] [ 7.04957713152e-15 -2.851874385024e-14 -8.090991935040001e-14 ] [ -7.04957713152e-15 1.297763062848e-14 -4.774486329984001e-14 ] [ 2.467351996032e-14 2.88391791744e-14 5.6076181728e-15 ] [ 1.217654231808e-14 -3.028113813312e-14 4.181680980288e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.439394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.11453425893198e-18 } }