{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7643702 -5.8285287 -4.424619 ] [ -9.216705 -13.8196638 15.6086547 ] [ -17.5351633 3.3240108 -10.4627258 ] [ -1.4937848 12.6961471 18.1185402 ] [ 11.9632461 -2.643877 4.7375637 ] [ 10.091745 14.6221344 -3.4000555 ] [ 7.9550323 -8.3502228 -20.1773583 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.82683268487622e-09 -9.338332416801817e-09 -7.089021117747475e-09 ] [ -1.476678927181046e-08 -2.214154224767609e-08 2.500782164248004e-08 ] [ -2.809442868117018e-08 5.325652391046705e-09 -1.676313466660098e-08 ] [ -2.393307083066404e-09 2.034147005785772e-08 2.902910151146496e-08 ] [ 1.916723321029678e-08 -4.235957917670842e-09 7.590413799690745e-09 ] [ 1.616875790207529e-08 2.342724188187544e-08 -5.447489431522455e-09 ] [ 1.274536676876885e-08 -1.337853174863111e-08 -3.232769173776484e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.1285169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.818966497357693e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1901473 1.2993365 2.0296391 ] [ 3.0600035 2.2797604 3.982196 ] [ 2.1965503 4.7301043 0.3041253 ] [ 2.3232255 4.507742 4.1358456 ] [ 5.4098784 2.2349608 3.9019618 ] [ 3.0664325 5.7105289 2.2566689 ] [ 2.9333535 2.5021318 0.1504687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1901473e-10 1.2993365e-10 2.0296391e-10 ] [ 3.0600035e-10 2.2797604e-10 3.982196e-10 ] [ 2.1965503e-10 4.7301043e-10 3.041253e-11 ] [ 2.3232255e-10 4.507742e-10 4.1358456e-10 ] [ 5.4098784e-10 2.2349608e-10 3.9019618e-10 ] [ 3.0664325e-10 5.710528900000001e-10 2.2566689e-10 ] [ 2.9333535e-10 2.5021318e-10 1.504687e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 1.51e-05 5.4e-06 ] [ 4.3e-06 -2.32e-05 1e-06 ] [ 4e-06 9.5e-06 -1.9e-06 ] [ 2.5e-06 1.92e-05 -4.7e-06 ] [ -7.5e-06 7e-06 -4.8e-06 ] [ -8.8e-06 -2.33e-05 4.2e-06 ] [ 1e-06 -4.2e-06 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.04957713152e-15 2.419286697408e-14 8.65175375232e-15 ] [ 6.889359469440001e-15 -3.717049760256e-14 1.6021766208e-15 ] [ 6.4087064832e-15 1.52206778976e-14 -3.04413557952e-15 ] [ 4.005441552e-15 3.076179111936e-14 -7.53023011776e-15 ] [ -1.2016324656e-14 1.12152363456e-14 -7.69044777984e-15 ] [ -1.409915426304e-14 -3.733071526464e-14 6.72914180736e-15 ] [ 1.6021766208e-15 -6.72914180736e-15 1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.1774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.431687544452992e-18 } }