{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.689863 2.613928 1.941703 ] [ 2.080356 5.103994 1.950756 ] [ 1.651882 3.89841 3.770183 ] [ 3.604737 2.326315 3.946353 ] [ 4.359532 3.977463 2.369793 ] [ 3.455978 5.487629 3.928773 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.689863e-10 2.613928e-10 1.941703e-10 ] [ 2.080356e-10 5.103994e-10 1.950756e-10 ] [ 1.651882e-10 3.89841e-10 3.770183e-10 ] [ 3.604737e-10 2.326315e-10 3.946353e-10 ] [ 4.359532e-10 3.977463000000001e-10 2.369793e-10 ] [ 3.455978e-10 5.487629000000001e-10 3.928773e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6746895 -1.9856678 -1.3372118 ] [ 0.0617097 -1.4447144 3.4712138 ] [ 2.3385179 4.4201745 -1.3110869 ] [ -1.0705616 -2.2880748 2.0104669 ] [ -1.3368505 9.3056668 4.4261309 ] [ 0.6818741 -8.0073843 -7.2595129 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.080971743199242e-09 -3.18139052583537e-09 -2.142449483017885e-09 ] [ 9.886983861658176e-11 -2.3146876354131e-09 5.561497596158327e-09 ] [ 3.746718706702312e-09 7.08190024375633e-09 -2.100592779017148e-09 ] [ -1.715228766646241e-09 -3.665899951201636e-09 3.221123064072251e-09 ] [ -2.14187061660479e-09 1.490932178791475e-08 7.091443448580463e-09 ] [ 1.092482741349041e-09 -1.282924391922097e-08 -1.163102184677601e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1353205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.303422030781497e-18 } "relaxed-configuration-positions" { "source-value" [ [ 4.6706859 1.9737917 2.6647609 ] [ -0.3122504 5.0611779 2.6792285 ] [ 1.5451605 6.0379321 3.3331353 ] [ 3.1419733 0.3950679 2.7990449 ] [ 5.0611814 4.1155808 3.0063247 ] [ 3.7355973 5.8241885 3.4250668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.670685899999999e-10 1.9737917e-10 2.6647609e-10 ] [ -3.122504e-11 5.0611779e-10 2.6792285e-10 ] [ 1.5451605e-10 6.0379321e-10 3.3331353e-10 ] [ 3.1419733e-10 3.950679e-11 2.7990449e-10 ] [ 5.0611814e-10 4.1155808e-10 3.0063247e-10 ] [ 3.7355973e-10 5.8241885e-10 3.4250668e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0228696 0.1578032 0.0954555 ] [ -0.1784088 0.0329617 0.0002476 ] [ 0.2608739 0.0945317 0.0227495 ] [ 0.1886049 0.035135 -0.0510813 ] [ -0.1440003 -0.2143865 -3.86e-05 ] [ -0.1042001 -0.1060451 -0.0673328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.664113844704768e-11 2.528285977274265e-10 1.529365704267744e-10 ] [ -2.858424083049831e-10 5.281046512182335e-11 3.9669893131008e-13 ] [ 4.179660635569171e-10 1.514564796644794e-10 3.64487170348896e-11 ] [ 3.021783613483219e-10 5.629247557180801e-11 -8.184126462007104e-11 ] [ -2.307139140481862e-10 -3.434850381151392e-10 -6.184401756288e-14 ] [ -1.669469641050221e-10 -1.699029799703981e-10 -1.078790379730022e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.610394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.18062550666766e-18 } }