{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8993197 -4.6837814 -8.9862576 ] [ -3.3126221 0.4209047 7.2576695 ] [ -5.6839748 -7.6937376 1.6756856 ] [ -7.4652234 5.2918275 -2.4995884 ] [ 8.1040457 -5.8568513 3.0060924 ] [ 5.0252273 6.0672913 -5.8810799 ] [ 4.231867 6.4543468 5.4274785 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.44086899796487e-09 -7.504245056017893e-09 -1.439757183520632e-08 ] [ -5.3074056821654e-09 6.743636699248379e-10 1.162806839439323e-08 ] [ -9.106731537776355e-09 -1.23267265092899e-08 2.684744292131221e-09 ] [ -1.196060640052909e-08 8.478442301806513e-09 -4.004782096102878e-09 ] [ 1.298411255443477e-08 -9.383710224362087e-09 4.816290963244562e-09 ] [ 8.051301694265909e-09 9.720872272443238e-09 -9.4225287208368e-09 ] [ 6.780198369735034e-09 1.034100354549529e-08 8.695779162594654e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 58.705583 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.405671259303392e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4886841 -0.2412285 -2.425431 ] [ -0.4384834 3.0558949 9.1853017 ] [ -0.6296601 -2.1116575 3.9620506 ] [ -1.1949146 5.3418232 1.8849617 ] [ 6.6639288 -0.3622494 4.1525417 ] [ 5.9729938 6.0612728 -0.9555462 ] [ 5.3148764 6.6388555 6.3421094 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4886841e-10 -2.412285e-11 -2.425431e-10 ] [ -4.384834000000001e-11 3.0558949e-10 9.185301700000001e-10 ] [ -6.296601e-11 -2.1116575e-10 3.9620506e-10 ] [ -1.1949146e-10 5.3418232e-10 1.8849617e-10 ] [ 6.6639288e-10 -3.622494e-11 4.1525417e-10 ] [ 5.9729938e-10 6.0612728e-10 -9.555462e-11 ] [ 5.3148764e-10 6.6388555e-10 6.3421094e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -0.0 -0.0 ] [ -0.0 0.0 0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 5.3290705e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.538112165694968e-34 } }