{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.044824 1.955008 1.363184 ] [ 4.804837 1.704442 0.3842414 ] [ 5.395877 3.200403 2.033527 ] [ 3.92549 3.943599 0.3069547 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.044824e-10 1.955008e-10 1.363184e-10 ] [ 4.804837e-10 1.704442e-10 3.842414e-11 ] [ 5.395877e-10 3.200403e-10 2.033527e-10 ] [ 3.92549e-10 3.943599e-10 3.069547e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.5835196 -5.6309941 5.897371 ] [ 8.3038245 -10.9597223 -8.9203037 ] [ 9.0550943 4.3302629 10.1785414 ] [ -3.7753991 12.2604535 -7.1556088 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.176319753129857e-08 -9.021847098882738e-09 9.448629940383917e-09 ] [ 1.330419347712625e-08 -1.75594108395204e-08 -1.429190203857574e-08 ] [ 1.450786038659934e-08 6.937845980297609e-09 1.63078210649249e-08 ] [ -6.048856172209362e-09 1.964341195810553e-08 -1.146454912695074e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 34.591489 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.542167495446038e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4608623 1.2958495 2.1929335 ] [ 5.8057322 0.3790668 -0.8250382 ] [ 6.4511386 3.6821727 3.4244479 ] [ 3.4532949 5.4463629 -0.7044361 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4608623e-10 1.2958495e-10 2.1929335e-10 ] [ 5.8057322e-10 3.790668e-11 -8.250382000000001e-11 ] [ 6.451138600000001e-10 3.6821727e-10 3.4244479e-10 ] [ 3.4532949e-10 5.4463629e-10 -7.044361000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0619609 -0.0109725 0.0510001 ] [ 0.0469721 -0.0339295 -0.065434 ] [ 0.031551 0.0071523 0.0669232 ] [ -0.0165621 0.0377497 -0.0524893 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.927230538372671e-11 -1.7579882971728e-11 8.171116787846209e-11 ] [ 7.525760044987968e-11 -5.43610516554336e-11 -1.048368250054272e-10 ] [ 5.055027456286081e-11 1.145924784494784e-11 1.072227864291226e-10 ] [ -2.653540941135168e-11 6.048168678221375e-11 -8.409712930215744e-11 ] ] } "relaxed-potential-energy" { "source-value" 0.0088923619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.424713433987267e-21 } }