{ "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" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.9922614 -19.4062152 2.5522295 ] [ -36.9295713 -25.6571736 -18.2518615 ] [ -10.9255537 20.6187626 4.7670671 ] [ 9.3739681 -14.3039088 -13.5039393 ] [ 5.9091937 -4.0680959 25.4501828 ] [ 52.5642246 42.8166309 -1.0136787 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.203113407590013e-08 -3.109218454781563e-08 4.089122469505503e-09 ] [ -5.916769624049699e-08 -4.110732403640166e-08 -2.924270602230419e-08 ] [ -1.750466685165224e-08 3.303489965971308e-08 7.637683520330141e-09 ] [ 1.501875265768138e-08 -2.291738845422698e-08 -2.163569601341431e-08 ] [ 9.467572071920004e-09 -6.5178081958512e-09 4.077568821318869e-08 ] [ 8.421717243844799e-08 6.859980557458238e-08 -1.624092327523496e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 16.823055 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.695350563349687e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4176663 -0.7989927 3.4868699 ] [ 1.7645619 2.4010653 0.5080764 ] [ 0.8382857 2.8537828 2.7879896 ] [ 2.5057759 0.0653438 1.0139972 ] [ 1.5793883 0.5180196 3.2938734 ] [ 3.7615503 3.7181518 0.3148946 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.176663e-11 -7.989927000000001e-11 3.4868699e-10 ] [ 1.7645619e-10 2.4010653e-10 5.080764e-11 ] [ 8.382857000000001e-11 2.8537828e-10 2.7879896e-10 ] [ 2.5057759e-10 6.53438e-12 1.0139972e-10 ] [ 1.5793883e-10 5.180196000000001e-11 3.2938734e-10 ] [ 3.7615503e-10 3.7181518e-10 3.148946e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 -1.28e-05 7.3e-06 ] [ 1.35e-05 -6.7e-06 -1.44e-05 ] [ -5.3e-06 3.7e-06 -0.0 ] [ -1.94e-05 -1.1e-06 -6.1e-06 ] [ 5.4e-06 5.7e-06 7.7e-06 ] [ 6.8e-06 1.12e-05 5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602176634e-15 -2.05078609152e-14 1.16958894282e-14 ] [ 2.162938455899999e-14 -1.07345834478e-14 -2.30713435296e-14 ] [ -8.4915361602e-15 5.9280535458e-15 0.0 ] [ -3.10822266996e-14 -1.7623942974e-15 -9.773277467399999e-15 ] [ 8.6517538236e-15 9.1324068138e-15 1.23367600818e-14 ] [ 1.08948011112e-14 1.79443783008e-14 8.811971486999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.077539 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.736123395202373e-18 } }