{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.1630822e-10 2.3181201e-10 1.775841e-10 ] [ 2.1317438e-10 2.7052997e-10 4.170787800000001e-10 ] [ 2.1102309e-10 4.5281825e-10 2.5508883e-10 ] [ 4.4888181e-10 2.3465187e-10 1.7894103e-10 ] [ 4.324557e-10 1.677928e-10 4.010749e-10 ] [ 4.4305552e-10 4.5985602e-10 2.4902956e-10 ] [ 4.1843818e-10 3.9133548e-10 4.6951759e-10 ] ] "source-value" [ [ 2.1630822 2.3181201 1.775841 ] [ 2.1317438 2.7052997 4.1707878 ] [ 2.1102309 4.5281825 2.5508883 ] [ 4.4888181 2.3465187 1.7894103 ] [ 4.324557 1.677928 4.010749 ] [ 4.4305552 4.5985602 2.4902956 ] [ 4.1843818 3.9133548 4.6951759 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 7.036439283229441e-12 -3.68676862212288e-12 -2.95217064148608e-12 ] [ -3.45461322976896e-12 4.49474629199232e-12 6.15043561192704e-12 ] [ -7.738513078464e-14 -6.713120041152e-14 -5.85243076045824e-12 ] [ -5.72778141936e-12 2.5650847699008e-12 1.84250311392e-13 ] [ 6.4840087843776e-13 -6.956170234527361e-12 -5.43266048580864e-12 ] [ -3.3501513140928e-12 -1.650241919424e-13 9.9943777605504e-13 ] [ 4.92477049701504e-12 3.81526318711104e-12 6.90313818837888e-12 ] ] "source-value" [ [ 0.0043918 -0.0023011 -0.0018426 ] [ -0.0021562 0.0028054 0.0038388 ] [ -4.83e-05 -4.19e-05 -0.0036528 ] [ -0.003575 0.001601 0.000115 ] [ 0.0004047 -0.0043417 -0.0033908 ] [ -0.002091 -0.000103 0.0006238 ] [ 0.0030738 0.0023813 0.0043086 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.678960414361411e-18 "source-value" -22.962265 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.218112574201769e-09 -1.945703475724942e-09 -2.470962020393986e-09 ] [ -1.002584450938291e-09 -1.475130743912367e-09 1.205081951864582e-09 ] [ -2.646367836186184e-09 5.764601841370915e-09 -1.863308979517709e-09 ] [ 2.395082775415237e-09 8.000999276426285e-10 2.272724386667078e-10 ] [ 2.127842919419038e-09 -2.889719398983917e-09 1.147092130380699e-09 ] [ 2.939446154763687e-10 -7.609845478400794e-10 1.391504814754387e-10 ] [ 2.050194551015601e-09 5.068363974477619e-10 1.615673997524268e-09 ] ] "source-value" [ [ -2.0085879 -1.2144126 -1.5422532 ] [ -0.625764 -0.9207042 0.752153 ] [ -1.6517329 3.5979815 -1.162986 ] [ 1.4948931 0.4993831 0.1418523 ] [ 1.3280951 -1.803621 0.7159586 ] [ 0.1834658 -0.4749692 0.0868509 ] [ 1.2796308 0.3163424 1.0084244 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.233782181988517e-18 "source-value" -20.183681 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] "source-value" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] } "instance-id" 1 }