{ "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" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -29.0506836 -11.8088963 4.4444266 ] [ -26.8351569 -0.5851949 11.6803856 ] [ 27.1964497 5.8489189 -16.5459208 ] [ 8.2939325 -9.0608316 7.4058307 ] [ 20.3954582 15.6060039 -6.9847221 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.6544326465647e-08 -1.891993772518905e-08 7.120756450048064e-09 ] [ -4.299466135490387e-08 -9.375855951159664e-10 1.871404088443006e-08 ] [ 4.35735162370963e-08 9.371001195740983e-09 -2.650948769377459e-08 ] [ 1.32883448554732e-08 -1.451705267412883e-08 1.186544890289986e-08 ] [ 3.26771265677637e-08 2.500357479869287e-08 -1.119075854360341e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.8181238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.515132104079289e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.161349 0.5316289 0.6616538 ] [ 0.5907361 1.9386454 2.6358861 ] [ 2.3234985 1.238378 -0.2949146 ] [ 2.7720134 0.5880029 3.4212312 ] [ 2.7285091 2.6374383 1.6900912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.61349e-11 5.316289e-11 6.616538e-11 ] [ 5.907361e-11 1.9386454e-10 2.6358861e-10 ] [ 2.3234985e-10 1.238378e-10 -2.949146e-11 ] [ 2.7720134e-10 5.880029e-11 3.4212312e-10 ] [ 2.7285091e-10 2.6374383e-10 1.6900912e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.2e-06 1.7e-06 4.3e-06 ] [ 4.72e-05 -1.54e-05 -2.7e-06 ] [ -7e-07 2.1e-06 -2.17e-05 ] [ -2.66e-05 3.28e-05 -6.4e-06 ] [ -1.67e-05 -2.11e-05 2.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.1269652288e-15 2.7237002778e-15 6.8893595262e-15 ] [ 7.562273712480001e-14 -2.46735201636e-14 -4.3258769118e-15 ] [ -1.1215236438e-15 3.364570931399999e-15 -3.476723295779999e-14 ] [ -4.26178984644e-14 5.255139359519999e-14 -1.02539304576e-14 ] [ -2.67563497878e-14 -3.38059269774e-14 4.2457680801e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.065358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933083466844497e-18 } }