{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9998145 0.4294499 1.8823549 ] [ 4.5888577 -0.4617789 0.1741493 ] [ 2.6289678 2.5735696 1.3025279 ] [ -0.6673803 -1.1853203 -1.0495973 ] [ -0.2368362 -0.4285557 -0.3286927 ] [ -0.0728529 1.698601 -0.4763614 ] [ -4.2409416 -2.6259656 -1.5043806 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.204056064234393e-09 6.880545952536365e-10 3.015865037675406e-09 ] [ 7.352160583690981e-09 -7.398513636542225e-10 2.790179392874562e-10 ] [ 4.212070780698385e-09 4.123313079092726e-09 2.086879766513089e-09 ] [ -1.06926112265191e-09 -1.89909248846587e-09 -1.681640269169488e-09 ] [ -3.794534257253508e-10 -6.866219289075138e-10 -5.266237637063717e-10 ] [ -1.167232140991386e-10 2.721458832689034e-09 -7.632151044195274e-10 ] [ -6.794737537678574e-09 -4.20726072600779e-09 -2.4102834459629e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.121182 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.063551101486139e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6667968 1.6955425 1.3902198 ] [ 2.3871372 4.0087715 1.9717439 ] [ 4.646804 3.1798077 1.4056855 ] [ 4.7218319 0.8880422 2.3728712 ] [ 4.6133928 1.0591057 4.746211 ] [ 5.7421394 2.8233676 3.6116974 ] [ 4.2524819 4.7032668 3.315464 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6667968e-10 1.6955425e-10 1.3902198e-10 ] [ 2.3871372e-10 4.0087715e-10 1.9717439e-10 ] [ 4.646804000000001e-10 3.1798077e-10 1.4056855e-10 ] [ 4.7218319e-10 8.880422e-11 2.3728712e-10 ] [ 4.6133928e-10 1.0591057e-10 4.746211e-10 ] [ 5.7421394e-10 2.8233676e-10 3.6116974e-10 ] [ 4.252481900000001e-10 4.7032668e-10 3.315464e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.3e-06 1.26e-05 -2.5e-06 ] [ 3.1e-06 3.02e-05 -1.96e-05 ] [ -2.62e-05 1.4e-06 -1.34e-05 ] [ 2.04e-05 -5.18e-05 -1.92e-05 ] [ 1.96e-05 4.77e-05 1.51e-05 ] [ -1.05e-05 -1.45e-05 7.8e-06 ] [ -1.07e-05 -2.56e-05 3.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.8893595262e-15 2.01874255884e-14 -4.005441585e-15 ] [ 4.9667475654e-15 4.838573434679999e-14 -3.140266202639999e-14 ] [ -4.197702781079999e-14 2.2430472876e-15 -2.14691668956e-14 ] [ 3.26844033336e-14 -8.299274964119999e-14 -3.076179137279999e-14 ] [ 3.140266202639999e-14 7.64238254418e-14 2.41928671734e-14 ] [ -1.6822854657e-14 -2.3231561193e-14 1.24969777452e-14 ] [ -1.71432899838e-14 -4.10157218304e-14 5.09492169612e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.977958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.521257077063337e-18 } }