{ "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" [ [ 0.2973138 0.0992835 1.535424 ] [ 0.4571454 2.256303 0.112609 ] [ 1.021874 2.429871 2.604005 ] [ 1.808416 0.4621254 0.960442 ] [ 2.7331 1.011411 2.670813 ] [ 2.623171 2.959224 2.230467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.973138000000001e-11 9.92835e-12 1.535424e-10 ] [ 4.571454e-11 2.256303e-10 1.12609e-11 ] [ 1.021874e-10 2.429871e-10 2.604005e-10 ] [ 1.808416e-10 4.621254e-11 9.60442e-11 ] [ 2.7331e-10 1.011411e-10 2.670813e-10 ] [ 2.623171e-10 2.959224e-10 2.230467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -27.3369337 -13.2060523 6.7216021 ] [ -3.4199483 5.3302053 -6.0638267 ] [ -24.7984444 8.4983984 11.8447957 ] [ 20.9218773 -10.1685974 -21.0391848 ] [ 14.7549978 -10.1644314 11.1934323 ] [ 19.8784514 19.7104775 -2.6568186 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.379859605849964e-08 -2.115842824812207e-08 1.076919373894018e-08 ] [ -5.479361210604705e-09 8.539930315724252e-09 -9.715321371322816e-09 ] [ -3.973148784988869e-08 1.361593523072413e-08 1.897745474869237e-08 ] [ 3.352054267330622e-08 -1.629188902060767e-08 -3.370849000725072e-08 ] [ 2.364011251511544e-08 -1.628521435280541e-08 1.793385553756757e-08 ] [ 3.184879009078903e-08 3.157966623530443e-08 -4.256692646626586e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.2809138 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.486966311002009e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1246239 0.119749 2.2838282 ] [ 1.2616912 2.521666 0.1309006 ] [ -0.0112531 2.4936654 2.4382199 ] [ 1.7751876 0.2139386 0.5771537 ] [ 3.3333801 0.8294993 2.2621098 ] [ 2.4573905 3.0396997 2.4215478 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.246239e-11 1.19749e-11 2.2838282e-10 ] [ 1.2616912e-10 2.521666e-10 1.309006e-11 ] [ -1.12531e-12 2.4936654e-10 2.4382199e-10 ] [ 1.7751876e-10 2.139386e-11 5.771537e-11 ] [ 3.3333801e-10 8.294993000000001e-11 2.2621098e-10 ] [ 2.4573905e-10 3.0396997e-10 2.4215478e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-05 -1.47e-05 -1.2e-06 ] [ 2.81e-05 2.55e-05 6.05e-05 ] [ 3.47e-05 1.5e-06 -1.06e-05 ] [ 8e-07 -2.45e-05 8.5e-06 ] [ 5.5e-06 3e-06 -1.56e-05 ] [ -4.61e-05 9.1e-06 -4.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-14 -2.355199632576e-14 -1.92261194496e-15 ] [ 4.502116304448e-14 4.08555038304e-14 9.69316855584e-14 ] [ 5.559552874176001e-14 2.4032649312e-15 -1.698307218048e-14 ] [ 1.28174129664e-15 -3.92533272096e-14 1.36185012768e-14 ] [ 8.8119714144e-15 4.8065298624e-15 -2.499395528448e-14 ] [ -7.386034221888001e-14 1.457980724928e-14 -6.681076508736e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.144373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.266178373647476e-18 } }