{ "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" [ [ 3.046952 0.8888341 2.154791 ] [ 1.482397 2.148474 3.156267 ] [ 1.59563 3.780951 1.691413 ] [ 3.247494 1.676883 4.588179 ] [ 3.703607 3.217806 2.519536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.046952e-10 8.888341e-11 2.154791e-10 ] [ 1.482397e-10 2.148474e-10 3.156267e-10 ] [ 1.59563e-10 3.780951e-10 1.691413e-10 ] [ 3.247494e-10 1.676883e-10 4.588179e-10 ] [ 3.703607e-10 3.217806e-10 2.519536e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5539994 -3.951867 -2.1724444 ] [ -6.1140482 -0.5627258 2.6948965 ] [ -1.4958389 3.5899488 -3.00523 ] [ 2.0881558 -0.5531027 2.2839656 ] [ 2.9677319 1.4777467 0.1988124 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.091958161930018e-09 -6.331588968075677e-09 -3.480639656344149e-09 ] [ -9.795785165189758e-09 -9.015861281089573e-10 4.317700203348381e-09 ] [ -2.396598133808263e-09 5.75173208461634e-09 -4.81490928579582e-09 ] [ 3.345594430911577e-09 -8.861682221423116e-10 3.65931631717979e-09 ] [ 4.754830706156425e-09 2.367611233710607e-09 3.185325818294616e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0262114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.285940836462443e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2058843 0.6646572 2.2291854 ] [ 1.1566194 1.9637822 3.0612057 ] [ 1.6273118 4.0385486 1.937032 ] [ 3.262588 1.8951399 4.5239619 ] [ 3.8236766 3.1508203 2.358801 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2058843e-10 6.646572e-11 2.2291854e-10 ] [ 1.1566194e-10 1.9637822e-10 3.0612057e-10 ] [ 1.6273118e-10 4.0385486e-10 1.937032e-10 ] [ 3.262588e-10 1.8951399e-10 4.5239619e-10 ] [ 3.8236766e-10 3.1508203e-10 2.358801e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 -1.45e-05 9e-07 ] [ 3.5e-06 -1e-07 -1.06e-05 ] [ -1.38e-05 2.24e-05 5.3e-06 ] [ 2.2e-06 6.2e-06 7.4e-06 ] [ -1.7e-06 -1.4e-05 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.57013310132e-14 -2.3231561193e-14 1.4419589706e-15 ] [ 5.607618218999999e-15 -1.602176634e-16 -1.69830723204e-14 ] [ -2.21100375492e-14 3.588875660159999e-14 8.4915361602e-15 ] [ 3.5247885948e-15 9.9334951308e-15 1.18561070916e-14 ] [ -2.7237002778e-15 -2.243047287599999e-14 -4.9667475654e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.744302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.721426961303947e-18 } }