{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2695065 -25.0194209 5.118853 ] [ -15.6437421 21.8722167 -6.2765245 ] [ -0.7659284 0.7140689 5.4691658 ] [ -1.6334263 -1.7309685 -0.9360706 ] [ 17.7130804 0.5666555 -4.1543501 ] [ 2.5995229 3.5974483 0.7789263 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.636150255053635e-09 -4.00855312319349e-08 8.201306601911942e-09 ] [ -2.506403785444469e-08 3.504315424181132e-08 -1.005610081377841e-08 ] [ -1.227152575686751e-09 1.144064497220373e-09 8.762569580038928e-09 ] [ -2.617037429659847e-09 -2.773317262041245e-09 -1.499750430738228e-09 ] [ 2.837948329923071e-08 9.078821941477344e-10 -6.656002604838143e-09 ] [ 4.164894815614217e-09 5.763747560796705e-09 1.247977507186247e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.4409495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.51300884225345e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1114386 0.5538939 0.8764458 ] [ 0.1048267 2.9257283 0.5175687 ] [ 0.3842829 3.2038228 2.9582766 ] [ 1.5222706 -0.0133818 2.6944977 ] [ 2.5510794 2.8772167 0.3845032 ] [ 2.5813512 2.1154375 2.7051463 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.114386e-11 5.538939000000001e-11 8.764458000000001e-11 ] [ 1.048267e-11 2.9257283e-10 5.175687e-11 ] [ 3.842829e-11 3.2038228e-10 2.9582766e-10 ] [ 1.5222706e-10 -1.33818e-12 2.6944977e-10 ] [ 2.5510794e-10 2.8772167e-10 3.845032e-11 ] [ 2.5813512e-10 2.1154375e-10 2.7051463e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.4e-06 1.96e-05 -4.17e-05 ] [ -4.61e-05 -2.7e-06 -4.28e-05 ] [ -1.2e-06 6.2e-06 4.46e-05 ] [ 2.89e-05 1.58e-05 4.03e-05 ] [ 2.06e-05 -1.38e-05 1.38e-05 ] [ 6.1e-06 -2.5e-05 -1.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.345828361472e-14 3.140266176767999e-14 -6.681076508736e-14 ] [ -7.386034221888001e-14 -4.32587687616e-15 -6.857315937023999e-14 ] [ -1.92261194496e-15 9.93349504896e-15 7.145707728768e-14 ] [ 4.630290434112001e-14 2.531439060864e-14 6.456771781824e-14 ] [ 3.300483838848e-14 -2.211003736704e-14 2.211003736704e-14 ] [ 9.77327738688e-15 -4.005441552e-14 -2.275090801536e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.057064 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.412407591868934e-18 } }