{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.1486401 0.7561144 -4.4542393 ] [ 3.5466229 -6.3718531 -3.5947708 ] [ 5.8030484 6.0893598 4.2538615 ] [ -9.468784 -0.6962299 6.7279738 ] [ 4.8938203 -5.2997106 -11.498305 ] [ 2.1847471 20.0102465 -5.3000199 ] [ 1.1891854 -14.487927 13.8654998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.305556065953337e-08 1.211428814330219e-09 -7.136478069908558e-09 ] [ 5.682316293173896e-09 -1.0208834067992e-08 -5.759457732894513e-09 ] [ 9.297508475850848e-09 9.756229907199365e-09 6.815437443421219e-09 ] [ -1.517066435220511e-08 -1.115483268481922e-09 1.077940232771494e-08 ] [ 7.840764471056442e-09 -8.491072420325942e-09 -1.842231544982774e-08 ] [ 3.5003507259806e-09 3.205994911874503e-08 -8.491567973554753e-09 ] [ 1.905285045676696e-09 -2.321221792325708e-08 2.221497961526708e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.922065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.711213691865795e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3690038 2.6322996 2.4036924 ] [ 2.6918355 1.7319429 1.9074509 ] [ 2.1276952 2.4551988 4.2676585 ] [ 1.7672556 4.6256823 3.0267823 ] [ 3.7034112 3.9284547 1.5778615 ] [ 3.7627961 6.1965805 2.7766653 ] [ 4.0131635 4.0282313 4.0832312 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.690038e-11 2.6322996e-10 2.4036924e-10 ] [ 2.6918355e-10 1.7319429e-10 1.9074509e-10 ] [ 2.1276952e-10 2.4551988e-10 4.2676585e-10 ] [ 1.7672556e-10 4.625682300000001e-10 3.0267823e-10 ] [ 3.7034112e-10 3.9284547e-10 1.5778615e-10 ] [ 3.7627961e-10 6.1965805e-10 2.7766653e-10 ] [ 4.0131635e-10 4.0282313e-10 4.0832312e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.79e-05 -3.7e-06 1.5e-06 ] [ -1.63e-05 3.82e-05 -6.23e-05 ] [ 3.21e-05 -0.0001253 1.28e-05 ] [ 0.000146 0.0001298 1.86e-05 ] [ 4.11e-05 -1.61e-05 0.0001541 ] [ -8.32e-05 -0.0001745 -3.94e-05 ] [ -7.19e-05 0.0001516 -8.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.674426013632e-14 -5.928053496960001e-15 2.4032649312e-15 ] [ -2.611547891904e-14 6.120314691456e-14 -9.981560347584e-14 ] [ 5.142986952768e-14 -2.0075273058624e-13 2.050786074624e-14 ] [ 2.339177866368e-13 2.0796252537984e-13 2.980048514688e-14 ] [ 6.584945911488e-14 -2.579504359488e-14 2.4689541726528e-13 ] [ -1.3330109485056e-13 -2.795798203296e-13 -6.312575885952001e-14 ] [ -1.1519649903552e-13 2.4288997571328e-13 -1.3650544809216e-13 ] ] } "relaxed-potential-energy" { "source-value" -25.710506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.119277162213813e-18 } }