{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.3383568 -16.4122247 -22.8851013 ] [ 0.049831 0.9965213 -0.5875319 ] [ 37.6755729 -18.624305 1.1462412 ] [ -26.3216866 24.7731715 24.0215971 ] [ 6.9346395 9.2668369 -1.6952052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.93812865288487e-08 -2.629528270965629e-08 -3.666597426749969e-08 ] [ 7.98380631910848e-11 1.596603128989223e-09 -9.413298741542035e-10 ] [ 6.036292207562606e-08 -2.983942604964854e-08 1.836480852437737e-09 ] [ -4.217199089054464e-08 3.969099620036887e-08 3.848684126789708e-08 ] [ 1.11105172805762e-08 1.484710942994675e-08 -2.716018138898588e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.2264957 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.478247570245173e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1072396 0.1683839 1.260631 ] [ 0.8886747 2.694567 1.1164465 ] [ 3.278787 0.4299406 2.551429 ] [ 1.0933572 1.5715567 3.4981996 ] [ 3.0602221 2.9561268 2.4072389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1072396e-10 1.683839e-11 1.260631e-10 ] [ 8.886747000000001e-11 2.694567e-10 1.1164465e-10 ] [ 3.278787e-10 4.299406e-11 2.551429e-10 ] [ 1.0933572e-10 1.5715567e-10 3.4981996e-10 ] [ 3.0602221e-10 2.9561268e-10 2.4072389e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.2e-06 -1.54e-05 1.58e-05 ] [ -6.5e-06 1.81e-05 4.1e-06 ] [ 5.5e-06 -1.32e-05 -7.6e-06 ] [ -8.7e-06 4.3e-06 -1.68e-05 ] [ 2.5e-06 6.3e-06 4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.153567166976e-14 -2.467351996032e-14 2.531439060864e-14 ] [ -1.04141480352e-14 2.899939683648e-14 6.568924145279999e-15 ] [ 8.8119714144e-15 -2.114873139456e-14 -1.217654231808e-14 ] [ -1.393893660096e-14 6.889359469440001e-15 -2.691656722944e-14 ] [ 4.005441552e-15 1.009371271104e-14 7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.338031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.656335157330565e-18 } }