{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.5606883 37.2154351 7.6358726 ] [ 13.0509662 26.4487515 35.927758 ] [ 31.0993785 -43.2116268 -15.5551667 ] [ 43.5896554 14.8751689 -7.0044359 ] [ -23.1101377 -16.4804649 1.6190154 ] [ -41.586814 5.7339882 -12.2636997 ] [ -6.4823601 -24.581252 -10.3593437 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.653314783721718e-08 5.962570054136344e-08 1.223401665992083e-08 ] [ 2.090995309676377e-08 4.237557165177245e-08 5.756261437960656e-08 ] [ 4.982669756462197e-08 -6.923265877608818e-08 -2.492212462471488e-08 ] [ 6.983832736599191e-08 2.383264803838348e-08 -1.122234353333076e-08 ] [ -3.70265226314625e-08 -2.640461578023715e-08 2.593948643966163e-09 ] [ -6.662942167330407e-08 9.186861913671718e-09 -1.964861310573281e-08 ] [ -1.03858858853939e-08 -3.938350758886576e-08 -1.659749841971511e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.159867276367166 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.267018784736693e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -16.5606883 37.2154351 7.6358726 ] [ 13.0509662 26.4487515 35.927758 ] [ 31.0993785 -43.2116268 -15.5551667 ] [ 43.5896554 14.8751689 -7.0044359 ] [ -23.1101377 -16.4804649 1.6190154 ] [ -41.586814 5.7339882 -12.2636997 ] [ -6.4823601 -24.581252 -10.3593437 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.653314783721718e-08 5.962570054136344e-08 1.223401665992083e-08 ] [ 2.090995309676377e-08 4.237557165177245e-08 5.756261437960656e-08 ] [ 4.982669756462197e-08 -6.923265877608818e-08 -2.492212462471488e-08 ] [ 6.983832736599191e-08 2.383264803838348e-08 -1.122234353333076e-08 ] [ -3.70265226314625e-08 -2.640461578023715e-08 2.593948643966163e-09 ] [ -6.662942167330407e-08 9.186861913671718e-09 -1.964861310573281e-08 ] [ -1.03858858853939e-08 -3.938350758886576e-08 -1.659749841971511e-08 ] ] } "relaxed-potential-energy" { "source-value" -5.159867276367166 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.267018784736693e-19 } }