{ "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" [ [ 2.146488 0.2959799 2.352543 ] [ 2.393537 2.53814 1.109639 ] [ 1.99319 1.640865 4.12466 ] [ 3.097066 3.51077 3.500726 ] [ 3.970578 1.750203 2.795194 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146488e-10 2.959799e-11 2.352543e-10 ] [ 2.393537e-10 2.53814e-10 1.109639e-10 ] [ 1.99319e-10 1.640865e-10 4.12466e-10 ] [ 3.097066e-10 3.51077e-10 3.500726e-10 ] [ 3.970578e-10 1.750203e-10 2.795194e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0962511 0.1444375 -1.5075632 ] [ 0.4388445 -0.551973 0.9482337 ] [ -0.7746926 -0.2539684 1.9500101 ] [ -1.7456797 4.1351937 0.4089837 ] [ 2.1777789 -3.4736899 -1.7996643 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.542112621462829e-10 2.314143856668e-10 -2.415382513418435e-09 ] [ 7.031063980666657e-10 -8.843582359128385e-10 1.519237865194681e-09 ] [ -1.241194372026766e-09 -4.069022329019827e-10 3.12426059254387e-09 ] [ -2.796887202745158e-09 6.62531066861945e-09 6.55264122428281e-10 ] [ 3.489186438851541e-09 -5.565464745689091e-09 -2.883380066748398e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.1983953992349505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.72657095352852e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0002228 0.5078734 2.2343462 ] [ 2.5940884 2.5306302 1.1866943 ] [ 2.1979937 1.5406721 4.3405285 ] [ 2.7918642 3.5634281 3.2928765 ] [ 4.0166898 1.593354 2.8283165 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0002228e-10 5.078734e-11 2.2343462e-10 ] [ 2.5940884e-10 2.5306302e-10 1.1866943e-10 ] [ 2.1979937e-10 1.5406721e-10 4.3405285e-10 ] [ 2.7918642e-10 3.5634281e-10 3.2928765e-10 ] [ 4.0166898e-10 1.593354e-10 2.8283165e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 1.99e-05 3.2e-06 ] [ -2.3e-06 -7.9e-06 9.1e-06 ] [ 1.48e-05 1.22e-05 -2.22e-05 ] [ -7.1e-06 -2.24e-05 1.5e-06 ] [ -1.19e-05 -1.9e-06 8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 3.188331475392e-14 5.126965186560001e-15 ] [ -3.68500622784e-15 -1.265719530432e-14 1.457980724928e-14 ] [ 2.371221398784e-14 1.954655477376e-14 -3.556832098176e-14 ] [ -1.137545400768e-14 -3.588875630592e-14 2.4032649312e-15 ] [ -1.906590178752e-14 -3.04413557952e-15 1.345828361472e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }