{ "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" [ [ 2.396346 1.355978 3.097514 ] [ 1.884272 1.266952 5.391976 ] [ 2.390434 4.172173 2.083104 ] [ 1.306064 3.125616 3.893724 ] [ 3.942091 2.333761 1.80322 ] [ 3.489943 3.083092 4.017618 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.396346e-10 1.355978e-10 3.097514e-10 ] [ 1.884272e-10 1.266952e-10 5.391976e-10 ] [ 2.390434e-10 4.172173e-10 2.083104e-10 ] [ 1.306064e-10 3.125616e-10 3.893724e-10 ] [ 3.942091e-10 2.333761e-10 1.80322e-10 ] [ 3.489943e-10 3.083092e-10 4.017618e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1363283 -13.4907689 -3.8225532 ] [ -1.4266141 -3.9524796 5.5053763 ] [ -1.3889716 7.0570062 -5.5965282 ] [ -9.4669308 5.2144525 1.5968005 ] [ 3.661048 -0.7317711 -4.9738011 ] [ 10.7577968 5.9035609 7.2907057 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.422775256613409e-09 -2.161459452819574e-08 -6.124405368804227e-09 ] [ -2.285687757923633e-09 -6.332570409308937e-09 8.820585196566407e-09 ] [ -2.22537782447517e-09 1.130657034648065e-08 -8.966626639687908e-09 ] [ -1.516769519849144e-08 8.354473885772112e-09 2.55835642918175e-09 ] [ 5.865645513226599e-09 -1.172426548197099e-09 -7.968907838929324e-09 ] [ 1.723589052427705e-08 9.458547253449007e-09 1.16809982216733e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.7939381 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.476382303782373e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.46858 0.6666273 2.8411031 ] [ 2.0612326 1.8471744 4.8159117 ] [ 2.0796242 3.9904403 2.0294624 ] [ 0.8559293 3.525107 3.8834007 ] [ 3.7765715 2.4994999 2.2172272 ] [ 4.1672123 2.8087231 4.500051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.46858e-10 6.666273e-11 2.841103100000001e-10 ] [ 2.0612326e-10 1.8471744e-10 4.8159117e-10 ] [ 2.0796242e-10 3.9904403e-10 2.0294624e-10 ] [ 8.559293000000001e-11 3.525107e-10 3.8834007e-10 ] [ 3.7765715e-10 2.4994999e-10 2.2172272e-10 ] [ 4.1672123e-10 2.8087231e-10 4.500051e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 -5.32e-05 -0.0 ] [ -1.71e-05 1.5e-06 1.5e-05 ] [ 2.82e-05 2.06e-05 3.69e-05 ] [ -7.6e-06 -1.1e-06 -2.1e-06 ] [ 1.01e-05 2e-07 -3.37e-05 ] [ -1.06e-05 3.2e-05 -1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.96674752448e-15 -8.523579622656e-14 0.0 ] [ -2.739722021568e-14 2.4032649312e-15 2.4032649312e-14 ] [ 4.518138070656001e-14 3.300483838848e-14 5.912031730752001e-14 ] [ -1.217654231808e-14 -1.76239428288e-15 -3.36457090368e-15 ] [ 1.618198387008e-14 3.2043532416e-16 -5.399335212096e-14 ] [ -1.698307218048e-14 5.12696518656e-14 -2.579504359488e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.433831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.831901671437829e-18 } }