{ "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" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -59.8748258 -19.210404 -4.4091828 ] [ 1.8330867 -0.5488289 -3.1891216 ] [ 2.8522885 8.7226032 -13.2362638 ] [ -14.7793836 -7.6215082 26.7182205 ] [ 57.024929 14.7555475 7.6794975 ] [ 12.9439052 3.9025904 -13.5631498 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.593004607123266e-08 -3.077846016492281e-08 -7.064289598993482e-09 ] [ 2.936928654639423e-09 -8.793208323993811e-10 -5.109536068408289e-09 ] [ 4.569869950476701e-09 1.397515091955527e-08 -2.120683240710136e-08 ] [ -2.367918287375494e-08 -1.221100225327549e-08 4.280730823447929e-08 ] [ 9.136400804657993e-08 2.364099323160389e-08 1.230391135399205e-08 ] [ 2.073842229329155e-08 6.25263909943852e-09 -2.17305615139682e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.242471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.1603717713022e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8612624 0.3738657 0.4753625 ] [ 0.3204171 -0.0315126 2.704001 ] [ 0.8772236 2.6729498 0.9048093 ] [ 0.3362642 2.2537483 3.1308619 ] [ 3.1615248 0.4321403 0.1160957 ] [ 3.1773949 2.7173942 0.5429918 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.612624e-11 3.738657e-11 4.753625e-11 ] [ 3.204171e-11 -3.15126e-12 2.704001e-10 ] [ 8.772236e-11 2.6729498e-10 9.048093e-11 ] [ 3.362642000000001e-11 2.2537483e-10 3.1308619e-10 ] [ 3.1615248e-10 4.321403e-11 1.160957e-11 ] [ 3.1773949e-10 2.7173942e-10 5.429918000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.35e-05 -8.6e-06 -6.9e-06 ] [ 1e-07 -3.9e-06 2.5e-06 ] [ 1.79e-05 -1.37e-05 1.1e-05 ] [ -4.6e-06 2.6e-06 -5.8e-06 ] [ -9.8e-06 4.6e-06 8.5e-06 ] [ 9.9e-06 1.9e-05 -9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.16293843808e-14 -1.377871893888e-14 -1.105501868352e-14 ] [ 1.6021766208e-16 -6.24848882112e-15 4.005441552e-15 ] [ 2.867896151232001e-14 -2.194981970496e-14 1.76239428288e-14 ] [ -7.370012455680001e-15 4.16565921408e-15 -9.292624400640001e-15 ] [ -1.570133088384e-14 7.370012455680001e-15 1.36185012768e-14 ] [ 1.586154854592e-14 3.04413557952e-14 -1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.469367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.798901138757503e-18 } }