{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.0376402 -3.475441 -10.7880958 ] [ -4.5237656 -6.4273589 6.7009178 ] [ 10.1044912 -9.7838681 -3.4778959 ] [ -0.1320824 7.8596863 21.8702927 ] [ 6.0259908 2.4952207 -0.8814332 ] [ -0.8416272 8.3209497 -13.0299598 ] [ 1.4046334 1.0108113 -0.3938258 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.928642569804224e-08 -5.568270317169773e-09 -1.728443487371067e-08 ] [ -7.247871482299285e-09 -1.02977641630708e-08 1.073605383706257e-08 ] [ 1.618917956571934e-08 -1.567548473081092e-08 -5.572203500556175e-09 ] [ -2.116193332991539e-10 1.259260563668205e-08 3.504007165399291e-08 ] [ 9.654701576915889e-09 3.99778426927621e-09 -1.412211665836931e-09 ] [ -1.348435423269366e-09 1.333163107219277e-08 -2.087629696152385e-08 ] [ 2.250470794274815e-09 1.619498232900455e-09 -6.309784894278567e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 8.4992561 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.361730941761179e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8145024 2.0624953 0.740233 ] [ 2.7173452 0.8802659 3.9944221 ] [ 3.9630533 0.071304 2.8645209 ] [ 3.8003111 3.7685765 4.8887025 ] [ 6.0952048 3.331723 1.9741364 ] [ 2.6288768 3.735387 0.5949165 ] [ 3.0920383 5.0753059 3.7601196 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8145024e-10 2.0624953e-10 7.402330000000001e-11 ] [ 2.7173452e-10 8.802659000000001e-11 3.9944221e-10 ] [ 3.9630533e-10 7.130400000000001e-12 2.8645209e-10 ] [ 3.8003111e-10 3.7685765e-10 4.8887025e-10 ] [ 6.0952048e-10 3.331723e-10 1.9741364e-10 ] [ 2.6288768e-10 3.735387e-10 5.949165e-11 ] [ 3.0920383e-10 5.0753059e-10 3.7601196e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-06 1.23e-05 -1.1e-06 ] [ -6e-05 -7.53e-05 -6.4e-06 ] [ 2.54e-05 -2.44e-05 -2.72e-05 ] [ 2.19e-05 0.0001255 1.3e-05 ] [ 0.0 0.0 0.0 ] [ -6e-06 -1.23e-05 1.1e-06 ] [ 1.26e-05 -2.58e-05 2.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-15 1.970677243584e-14 -1.76239428288e-15 ] [ -9.6130597248e-14 -1.2064389954624e-13 -1.025393037312e-14 ] [ 4.069528616832e-14 -3.909310954752e-14 -4.357920408576e-14 ] [ 3.508766799552e-14 2.010731659104e-13 2.08282960704e-14 ] [ 0.0 0.0 0.0 ] [ -9.6130597248e-15 -1.970677243584e-14 1.76239428288e-15 ] [ 2.018742542208e-14 -4.133615681664e-14 3.300483838848e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.352435 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.183431498295165e-18 } }