{ "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" [ [ 1.825241 1.571351 1.750599 ] [ 0.5622357 3.903382 1.066374 ] [ 3.055372 3.197946 1.429481 ] [ 3.763641 1.041333 1.110804 ] [ 3.309317 1.461591 3.355414 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.825241e-10 1.571351e-10 1.750599e-10 ] [ 5.622357e-11 3.903382e-10 1.066374e-10 ] [ 3.055372e-10 3.197946e-10 1.429481e-10 ] [ 3.763641e-10 1.041333e-10 1.110804e-10 ] [ 3.309317e-10 1.461591e-10 3.355414e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.6372872 -2.088975 -0.0062955 ] [ 0.334692 0.3543705 -0.1355287 ] [ -1.0180895 16.097709 -4.5015804 ] [ 11.0439181 -11.0442344 -10.6508508 ] [ 2.2767666 -3.3188702 15.2942553 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.024716626898728e-08 -3.34690693401015e-09 -1.0086502999347e-11 ] [ 5.36235701986728e-10 5.677641348788969e-10 -2.171409163763958e-10 ] [ -1.631159208220743e-09 2.57913732207315e-08 -7.212326932952373e-09 ] [ 1.769430752762968e-08 -1.769481429609901e-08 -1.706454428398021e-08 ] [ 3.647782247591624e-09 -5.317416285718906e-09 2.450409847609066e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.2097832 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.938286375245749e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5031756 2.235113 1.7425404 ] [ 0.1939783 2.7855956 1.1664074 ] [ 3.8996769 4.2244311 1.4981625 ] [ 3.3180768 0.4799316 0.251701 ] [ 2.6008991 1.4505317 4.0538606 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5031756e-10 2.235113e-10 1.7425404e-10 ] [ 1.939783e-11 2.7855956e-10 1.1664074e-10 ] [ 3.8996769e-10 4.2244311e-10 1.4981625e-10 ] [ 3.3180768e-10 4.799316e-11 2.51701e-11 ] [ 2.6008991e-10 1.4505317e-10 4.0538606e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.41e-05 2.78e-05 -4.55e-05 ] [ 1.66e-05 -3.97e-05 4.1e-05 ] [ 6.13e-05 -1.89e-05 -9.2e-06 ] [ 3.36e-05 2.45e-05 -1.22e-05 ] [ -1.74e-05 6.3e-06 2.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.507648212594e-13 4.454051042519999e-14 -7.289903684699999e-14 ] [ 2.65961321244e-14 -6.36064123698e-14 6.568924199399999e-14 ] [ 9.821342766419999e-14 -3.02811383826e-14 -1.47400250328e-14 ] [ 5.383313490239999e-14 3.925332753299999e-14 -1.95465549348e-14 ] [ -2.78778734316e-14 1.00937127942e-14 4.133615715719999e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.268874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.965690324829012e-18 } }