{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.2011895 -21.3737287 3.9898145 ] [ -26.6107019 16.72258 -30.1473916 ] [ -19.1346555 9.2250481 21.4695885 ] [ 5.1203159 -9.6331225 -12.6723332 ] [ 21.0837557 -35.4088406 16.3009481 ] [ 30.7424752 40.4680637 1.0593738 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.794628394205044e-08 -3.424448842246198e-08 6.392387513228842e-09 ] [ -4.263504444725814e-08 2.679252671545766e-08 -4.83014459996223e-08 ] [ -3.065709768916214e-08 1.478015639157546e-08 3.439807275289654e-08 ] [ 8.20365042609051e-09 -1.543396365480245e-08 -2.030331598402765e-08 ] [ 3.377990046119874e-08 -5.673121657895384e-08 2.611699794269418e-08 ] [ 4.925487503096381e-08 6.483698554918515e-08 1.697303935048055e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 33.087267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.301164563356735e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1864235 0.5161301 3.480073 ] [ 1.4273396 3.1333347 0.9389723 ] [ -0.1089541 2.2126141 2.4719717 ] [ 2.3186455 1.0271105 0.1213225 ] [ 3.2421949 0.7564978 2.3513408 ] [ 3.338298 3.1818912 2.4373186 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1864235e-10 5.161301e-11 3.480073e-10 ] [ 1.4273396e-10 3.1333347e-10 9.389723e-11 ] [ -1.089541e-11 2.2126141e-10 2.4719717e-10 ] [ 2.3186455e-10 1.0271105e-10 1.213225e-11 ] [ 3.2421949e-10 7.564978000000001e-11 2.3513408e-10 ] [ 3.338298e-10 3.1818912e-10 2.4373186e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 -6.2e-06 -1e-07 ] [ -2.1e-06 4e-07 6e-07 ] [ 7.8e-06 3.9e-06 -1.3e-06 ] [ -3e-07 1.3e-06 2.2e-06 ] [ 1.2e-06 5e-06 3e-06 ] [ -3.9e-06 -4.3e-06 -4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-15 -9.93349504896e-15 -1.6021766208e-16 ] [ -3.36457090368e-15 6.408706483200001e-16 9.6130597248e-16 ] [ 1.249697764224e-14 6.24848882112e-15 -2.08282960704e-15 ] [ -4.8065298624e-16 2.08282960704e-15 3.52478856576e-15 ] [ 1.92261194496e-15 8.010883104e-15 4.8065298624e-15 ] [ -6.24848882112e-15 -6.889359469440001e-15 -7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }