{ "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" [ [ 0.0795215 1.172985 2.972487 ] [ 0.7048054 0.2310616 1.565444 ] [ 0.5328429 2.146868 1.561816 ] [ 2.937455 0.8293126 0.8336996 ] [ 1.506301 0.8690976 0.2004578 ] [ 2.979161 2.931887 0.4386378 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.95215e-12 1.172985e-10 2.972487e-10 ] [ 7.048054e-11 2.310616e-11 1.565444e-10 ] [ 5.328429e-11 2.146868e-10 1.561816e-10 ] [ 2.937455e-10 8.293126e-11 8.336996000000001e-11 ] [ 1.506301e-10 8.690976e-11 2.004578e-11 ] [ 2.979161e-10 2.931887e-10 4.386378e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.0016693 1.087247 38.3961427 ] [ -11.5191057 -58.2637478 15.6558027 ] [ -5.8310078 48.524016 -10.2783824 ] [ 60.1489443 -8.2414395 25.9439452 ] [ -32.3209464 8.3086738 -69.1627744 ] [ 2.5237849 8.5852505 -0.5547337 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08309705838331e-08 1.741961724434938e-09 6.151740216284059e-08 ] [ -1.845564184506402e-08 -9.334881456534744e-08 2.508336106579752e-08 ] [ -9.342304372862444e-09 7.774404398252514e-08 -1.646778398092219e-08 ] [ 9.636923232326142e-08 -1.320424168863764e-08 4.156678245075639e-08 ] [ -5.178386468420993e-08 1.331196291221349e-08 -1.108109801733448e-07 ] [ 4.043549162708066e-09 1.375508763481151e-08 -8.887813649098809e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 54.271921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.695320299210456e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0955194 1.6056571 3.1700801 ] [ 0.2117227 -0.7933446 1.0621409 ] [ -0.0277712 3.2383329 2.2685858 ] [ 3.8760927 1.2566851 0.6576086 ] [ 1.2225957 -0.2145282 -0.3959337 ] [ 3.5529663 3.0884096 0.8100605 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.55194e-12 1.6056571e-10 3.1700801e-10 ] [ 2.117227e-11 -7.933446e-11 1.0621409e-10 ] [ -2.77712e-12 3.2383329e-10 2.2685858e-10 ] [ 3.8760927e-10 1.2566851e-10 6.576086e-11 ] [ 1.2225957e-10 -2.145282e-11 -3.959337e-11 ] [ 3.5529663e-10 3.0884096e-10 8.100605e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.94e-05 0.0002761 -0.0001135 ] [ -0.0001102 -1.9e-06 4.1e-06 ] [ -2.2e-05 -0.0002057 0.0002275 ] [ 0.0002278 -0.0002089 -5.31e-05 ] [ 4.97e-05 -0.0001064 -6.89e-05 ] [ -9.59e-05 0.0002468 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.914752506752001e-14 4.4236096500288e-13 -1.818470464608e-13 ] [ -1.7655986361216e-13 -3.04413557952e-15 6.568924145279999e-15 ] [ -3.52478856576e-14 -3.2956773089856e-13 3.64495181232e-13 ] [ 3.6497583421824e-13 -3.3469469608512e-13 -8.507557856448001e-14 ] [ 7.962817805376001e-14 -1.7047159245312e-13 -1.1038996917312e-13 ] [ -1.5364873793472e-13 3.9541719001344e-13 6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -32.352432 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.183431017642179e-18 } }