{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0560755 -2.0462223 -4.3096574 ] [ -5.8995552 -8.8828019 3.616462 ] [ -0.0217557 1.5659 -1.3954474 ] [ -2.2123756 0.9585584 0.3156437 ] [ 0.9493786 -0.995035 -0.0964822 ] [ -0.4435681 0.9893713 0.1678496 ] [ 8.6839516 8.4102295 1.7016318 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.69201947589967e-09 -3.278409530019604e-09 -6.904832329937714e-09 ] [ -9.452129414559068e-09 -1.423181753137782e-08 5.79421086641161e-09 ] [ -3.485647390913856e-11 2.50884837051072e-09 -2.235753199836146e-09 ] [ -3.544616462748373e-09 1.535779858151455e-09 5.05716956642809e-10 ] [ 1.521072197207835e-09 -1.594221813877728e-09 -1.545815251633498e-10 ] [ -7.106744395526766e-10 1.585147566150503e-09 2.689247049306317e-10 ] [ 1.391322422967875e-08 1.347467308046247e-08 2.726314687169821e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.52026 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.646837434153741e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6526209 1.9741507 2.9208629 ] [ 2.3306896 1.3538114 5.2427337 ] [ 3.0442098 4.4629931 2.9435706 ] [ 1.3595817 3.6342816 4.7855286 ] [ 4.7587051 1.3095375 1.8651169 ] [ 3.6584979 3.2590142 0.9820086 ] [ 3.7408511 3.3086686 4.9690984 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6526209e-10 1.9741507e-10 2.9208629e-10 ] [ 2.3306896e-10 1.3538114e-10 5.2427337e-10 ] [ 3.0442098e-10 4.4629931e-10 2.9435706e-10 ] [ 1.3595817e-10 3.6342816e-10 4.7855286e-10 ] [ 4.7587051e-10 1.3095375e-10 1.8651169e-10 ] [ 3.6584979e-10 3.259014200000001e-10 9.820086e-11 ] [ 3.7408511e-10 3.3086686e-10 4.9690984e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0355701 -0.1326765 -0.5008303 ] [ -0.0860315 0.5459222 -0.1169627 ] [ -0.0123488 -0.0943637 0.2214954 ] [ 0.1219333 -0.4754575 0.0651714 ] [ -0.3650445 0.2609011 -0.0633033 ] [ 0.184785 -0.3487678 0.40628 ] [ 0.1211365 0.2444421 -0.0118506 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.698958261951808e-11 -2.125711864295712e-10 -8.024185976482501e-10 ] [ -1.378376579523552e-10 8.746637856157018e-10 -1.873949034456442e-10 ] [ -1.978495865493504e-11 -1.51187313992185e-10 3.548747514947443e-10 ] [ 1.953586825569926e-10 -7.617668906840161e-10 1.044160934248051e-10 ] [ -5.848657634516257e-10 4.180096427610029e-10 -1.014230672794886e-10 ] [ 2.96058206874528e-10 -5.587876152478503e-10 6.509323174986241e-10 ] [ 1.940820682255392e-10 3.916394177592557e-10 -1.898675426245248e-11 ] ] } "relaxed-potential-energy" { "source-value" -19.230923 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.0811335227005e-18 } }