{ "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" [ [ 1.104984 0.7498219 0.2438631 ] [ 0.0561128 2.748087 0.5245136 ] [ 1.296365 1.928403 2.567713 ] [ 2.230186 0.0250453 1.984887 ] [ 2.914783 2.131976 0.9359872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.104984e-10 7.498219000000001e-11 2.438631e-11 ] [ 5.61128e-12 2.748087e-10 5.245136000000001e-11 ] [ 1.296365e-10 1.928403e-10 2.567713e-10 ] [ 2.230186e-10 2.50453e-12 1.984887e-10 ] [ 2.914783e-10 2.131976e-10 9.359872e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5577347 -0.2655777 -4.1288781 ] [ -0.9211125 0.6765059 -0.1179179 ] [ -2.9533856 3.4723451 3.324868 ] [ 3.035065 -6.2039487 2.7970541 ] [ 3.3971678 2.3206754 -1.875126 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.097942772311e-09 -4.255023854514618e-10 -6.615192016454315e-09 ] [ -1.475784924785325e-09 1.083881945743141e-09 -1.889253041103486e-10 ] [ -4.731845399512069e-09 5.563310184404393e-09 5.327025820734312e-09 ] [ 4.862710225671209e-09 -9.939821645674673e-09 4.481374723053899e-09 ] [ 5.442862870937185e-09 3.718131900978603e-09 -3.004283063005884e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3953114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.184859512623383e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1451924 1.3543995 0.351067 ] [ -0.7688558 2.0466593 -0.709609 ] [ 3.0404573 1.4139283 3.1322145 ] [ 1.2802788 0.0303726 2.3243392 ] [ 2.9053581 2.7379734 1.1589522 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1451924e-10 1.3543995e-10 3.51067e-11 ] [ -7.688558e-11 2.0466593e-10 -7.096090000000001e-11 ] [ 3.0404573e-10 1.4139283e-10 3.1322145e-10 ] [ 1.2802788e-10 3.03726e-12 2.3243392e-10 ] [ 2.9053581e-10 2.7379734e-10 1.1589522e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.5e-06 4.93e-05 -2e-07 ] [ -1.18e-05 4.4e-06 -2.13e-05 ] [ -9.3e-06 -3.5e-06 1.21e-05 ] [ 2.19e-05 -3.42e-05 3.47e-05 ] [ -7.3e-06 -1.6e-05 -2.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0414148121e-14 7.89873080562e-14 -3.204353268e-16 ] [ -1.89056842812e-14 7.0495771896e-15 -3.41263623042e-14 ] [ -1.49002426962e-14 -5.607618218999999e-15 1.93863372714e-14 ] [ 3.50876682846e-14 -5.479444088279999e-14 5.55955291998e-14 ] [ -1.16958894282e-14 -2.5634826144e-14 -4.037485117679999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.303473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.811016032364988e-18 } }