{ "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" [ [ 2.271696 2.59158 0.2830491 ] [ 1.885666 2.994299 3.04756 ] [ 2.618377 0.6246748 1.626494 ] [ 2.195128 4.700519 1.092758 ] [ 3.86025 2.803257 1.694059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.271696e-10 2.59158e-10 2.830491e-11 ] [ 1.885666e-10 2.994299e-10 3.04756e-10 ] [ 2.618377e-10 6.246748e-11 1.626494e-10 ] [ 2.195128e-10 4.700519e-10 1.092758e-10 ] [ 3.86025e-10 2.803257e-10 1.694059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2471062 -1.3016756 -4.4732036 ] [ -0.4403177 0.0490084 1.1736119 ] [ -0.3595551 -0.5589867 0.6298037 ] [ -0.9604439 1.9893755 0.4983815 ] [ 4.0074229 -0.1777217 2.1714064 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.600261018094729e-09 -2.085514214185813e-09 -7.166862227998394e-09 ] [ -7.054667246644281e-10 7.852011270281474e-11 1.880333548072668e-09 ] [ -5.760707751094061e-10 -8.955954220781434e-10 1.009056763833337e-09 ] [ -1.538800762169973e-09 3.18733091609231e-09 7.984951875392351e-10 ] [ 6.420599280038537e-09 -2.847415527488314e-10 3.478976568335493e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8497582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.097452244617309e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.866387 2.4748911 -0.0466337 ] [ 1.5188021 2.867804 2.9609576 ] [ 2.6699423 1.202771 1.7619694 ] [ 2.4625062 4.2829641 1.3355985 ] [ 4.3134794 2.8858996 1.7320284 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.866387e-10 2.4748911e-10 -4.66337e-12 ] [ 1.5188021e-10 2.867804e-10 2.9609576e-10 ] [ 2.669942300000001e-10 1.202771e-10 1.7619694e-10 ] [ 2.4625062e-10 4.2829641e-10 1.3355985e-10 ] [ 4.3134794e-10 2.8858996e-10 1.7320284e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.57e-05 1.68e-05 2.45e-05 ] [ 1.01e-05 1.14e-05 -1.34e-05 ] [ 1.6e-06 -2.6e-06 -4.1e-06 ] [ 2.9e-06 -3.43e-05 4e-07 ] [ -3.02e-05 8.7e-06 -7.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.515417294656e-14 2.691656722944e-14 3.92533272096e-14 ] [ 1.618198387008e-14 1.826481347712e-14 -2.146916671872e-14 ] [ 2.56348259328e-15 -4.16565921408e-15 -6.568924145279999e-15 ] [ 4.646312200320001e-15 -5.495465809344e-14 6.408706483200001e-16 ] [ -4.838573394816e-14 1.393893660096e-14 -1.185610699392e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }