{ "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" [ [ 1.635666 1.500837 2.371006 ] [ 1.689283 2.814467 0.5645773 ] [ 2.46942 4.224913 2.374581 ] [ 3.374683 1.495269 0.2101847 ] [ 3.693559 1.840027 2.268425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.635666e-10 1.500837e-10 2.371006e-10 ] [ 1.689283e-10 2.814467e-10 5.645773e-11 ] [ 2.46942e-10 4.224913e-10 2.374581e-10 ] [ 3.374683e-10 1.495269e-10 2.101847e-11 ] [ 3.693559e-10 1.840027e-10 2.268425e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8046176 -1.5458777 2.5189078 ] [ -3.3287375 3.886025 -2.6169881 ] [ 0.2026751 -1.4906337 0.424457 ] [ 1.994986 -3.0239522 -4.8677997 ] [ 5.9356941 2.1744386 4.5414231 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.697845990604207e-09 -2.476769109556076e-09 4.035735187110762e-09 ] [ -5.333225399280241e-09 6.226098402844321e-09 -4.192877150731813e-09 ] [ 3.247213068383021e-10 -2.388258464316601e-09 6.800550819349056e-10 ] [ 3.196319928023309e-09 -4.844905517256727e-09 -7.799074874077255e-09 ] [ 9.510030315240497e-09 3.483834688285083e-09 7.27616191598106e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.547584 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.010344573232415e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6009039 1.4870043 2.2832891 ] [ 2.1089434 3.2003186 0.3901599 ] [ 2.1266492 3.8715926 2.7924525 ] [ 3.0183936 0.8786112 0.3230584 ] [ 4.0077209 2.4379864 1.9998141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6009039e-10 1.4870043e-10 2.2832891e-10 ] [ 2.1089434e-10 3.2003186e-10 3.901599e-11 ] [ 2.1266492e-10 3.8715926e-10 2.7924525e-10 ] [ 3.0183936e-10 8.786112000000001e-11 3.230584000000001e-11 ] [ 4.0077209e-10 2.4379864e-10 1.9998141e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.8e-06 -1.54e-05 6e-06 ] [ 3.9e-06 3e-06 5.7e-06 ] [ 9.5e-06 1.03e-05 -4e-06 ] [ 6.6e-06 -1.9e-06 -5.8e-06 ] [ -1.22e-05 3.9e-06 -1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.249697764224e-14 -2.467351996032e-14 9.6130597248e-15 ] [ 6.24848882112e-15 4.8065298624e-15 9.13240673856e-15 ] [ 1.52206778976e-14 1.650241919424e-14 -6.4087064832e-15 ] [ 1.057436569728e-14 -3.04413557952e-15 -9.292624400640001e-15 ] [ -1.954655477376e-14 6.24848882112e-15 -3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }