{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1201872 -2.2673562 -1.227048 ] [ -4.4083758 -6.7507803 5.9747386 ] [ 0.992694 8.0091298 -3.4950894 ] [ 3.2381063 -0.3409014 0.1574975 ] [ 1.4955801 2.5785983 -0.0756274 ] [ -3.9327805 -0.7832758 4.3275001 ] [ 2.4945887 -0.4454144 -5.6619714 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.925611235458848e-10 -3.632705124595031e-09 -1.965947634396432e-09 ] [ -7.062996700651056e-09 -1.081594245792751e-08 9.572586579177872e-09 ] [ 1.590471131511996e-09 1.283204062423309e-08 -5.59975057042108e-09 ] [ 5.188018252268194e-09 -5.461842575778876e-10 2.52338814413415e-10 ] [ 2.396183490495383e-09 4.131369944732121e-09 -1.211684531701716e-10 ] [ -6.301009023750836e-09 -1.254946184737657e-09 6.933419543852663e-09 ] [ 3.996771726580436e-09 -7.136325441271295e-10 -9.071478279456267e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.901724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.707954726711702e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9840013 1.4456441 1.2527349 ] [ 2.0684996 1.5420699 3.5917942 ] [ 2.8872828 3.6307259 2.4578794 ] [ 5.0958316 2.5816759 1.9498104 ] [ 4.311266 2.7485387 4.3320889 ] [ 3.5428204 0.6387315 5.3479785 ] [ 4.4139824 0.4279787 3.0522237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9840013e-10 1.4456441e-10 1.2527349e-10 ] [ 2.0684996e-10 1.5420699e-10 3.5917942e-10 ] [ 2.8872828e-10 3.6307259e-10 2.4578794e-10 ] [ 5.0958316e-10 2.5816759e-10 1.9498104e-10 ] [ 4.311266e-10 2.7485387e-10 4.3320889e-10 ] [ 3.5428204e-10 6.387315e-11 5.3479785e-10 ] [ 4.4139824e-10 4.279787e-11 3.0522237e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.9e-06 -2.37e-05 -9e-06 ] [ -9.2e-06 7.3e-06 -1.29e-05 ] [ 2.6e-06 -1.1e-06 1.27e-05 ] [ 7.5e-06 5.9e-06 1.2e-06 ] [ 9.1e-06 2.39e-05 1.02e-05 ] [ 2.5e-06 -1.12e-05 1.2e-05 ] [ -6.6e-06 -1.1e-06 -1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.452842140600001e-15 -3.79715862258e-14 -1.4419589706e-14 ] [ -1.47400250328e-14 1.16958894282e-14 -2.06680785786e-14 ] [ 4.165659248399999e-15 -1.7623942974e-15 2.03476432518e-14 ] [ 1.2016324755e-14 9.452842140600001e-15 1.9226119608e-15 ] [ 1.45798073694e-14 3.82920215526e-14 1.63422016668e-14 ] [ 4.005441585e-15 -1.79443783008e-14 1.9226119608e-14 ] [ -1.05743657844e-14 -1.7623942974e-15 -2.243047287599999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.073267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.536527262344328e-18 } }