{ "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" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3859744 -2.7501435 1.3088478 ] [ -1.3140061 0.8697258 -2.7008075 ] [ 3.0237146 -3.1285549 2.3665556 ] [ -1.3091327 1.1297283 -2.5583587 ] [ 2.9853986 3.8792443 1.5837628 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.424929067002168e-09 -4.406215655846979e-09 2.097005362622305e-09 ] [ -2.105269870353467e-09 1.393454354746957e-09 -4.327170669431954e-09 ] [ 4.844524880004656e-09 -5.012497558966206e-09 3.79164008538185e-09 ] [ -2.097461822745332e-09 1.810024285028542e-09 -4.098942530530615e-09 ] [ 4.783135880096312e-09 6.215234575037685e-09 2.537467751958415e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.2497161 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.481967900655361e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5943606 0.3974376 2.2615765 ] [ 0.3047057 1.6377493 0.5157338 ] [ 2.564646 0.8045169 3.0505251 ] [ 2.0959721 2.8113784 0.2257076 ] [ 3.4927182 2.2963769 1.7922653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.943606e-11 3.974376e-11 2.2615765e-10 ] [ 3.047057000000001e-11 1.6377493e-10 5.157338e-11 ] [ 2.564646e-10 8.045169e-11 3.0505251e-10 ] [ 2.0959721e-10 2.8113784e-10 2.257076e-11 ] [ 3.4927182e-10 2.2963769e-10 1.7922653e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.73e-05 1.8e-06 -1.1e-05 ] [ 2.05e-05 -7.7e-06 3.75e-05 ] [ 5.7e-06 -1.87e-05 -2.2e-06 ] [ 1.21e-05 4e-07 -2.49e-05 ] [ -1.09e-05 2.42e-05 6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.37394221082e-14 2.8839179412e-15 -1.7623942974e-14 ] [ 3.2844620997e-14 -1.23367600818e-14 6.008162377499999e-14 ] [ 9.1324068138e-15 -2.99607030558e-14 -3.5247885948e-15 ] [ 1.93863372714e-14 6.408706536e-16 -3.989419818659999e-14 ] [ -1.74637253106e-14 3.877267454279999e-14 9.613059803999998e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.012367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.924593372643268e-18 } }