{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.45188 2.434317 1.979428 ] [ 1.55189 4.089359 0.857215 ] [ 1.720544 4.412025 2.913651 ] [ 3.389094 2.945578 1.506594 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.45188e-10 2.434317e-10 1.979428e-10 ] [ 1.55189e-10 4.089359e-10 8.57215e-11 ] [ 1.720544e-10 4.412025e-10 2.913651e-10 ] [ 3.389094e-10 2.945578e-10 1.506594e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8714063 -13.9400547 0.411533 ] [ -10.1228155 10.3787185 -13.8807508 ] [ -2.8696719 13.0318257 14.3833413 ] [ 16.8638937 -9.4704895 -0.9141235 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.202676714580394e-09 -2.233442991702187e-08 6.593485567199219e-10 ] [ -1.621853846439303e-08 1.662854027156353e-08 -2.223941459413681e-08 ] [ -4.597721265426385e-09 2.087928663490069e-08 2.304465334970718e-08 ] [ 2.70189364443998e-08 -1.517339698944234e-08 -1.464587312290299e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 3.9285084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.294164364952726e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5645634 2.8132313 1.93292 ] [ 0.9954923 4.2084511 0.0085578 ] [ 1.6061264 4.4524636 3.7453319 ] [ 3.9472259 2.407133 1.5700784 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5645634e-10 2.8132313e-10 1.93292e-10 ] [ 9.954923e-11 4.2084511e-10 8.557800000000001e-13 ] [ 1.6061264e-10 4.4524636e-10 3.7453319e-10 ] [ 3.9472259e-10 2.407133e-10 1.5700784e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.3e-06 -2.64e-05 -3.9e-06 ] [ 4.9e-06 8.6e-06 1.19e-05 ] [ 5e-06 9.5e-06 -1.09e-05 ] [ -6e-07 8.3e-06 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.49002426962e-14 -4.22974631376e-14 -6.248488872599999e-15 ] [ 7.850665506599998e-15 1.37787190524e-14 1.90659019446e-14 ] [ 8.010883169999999e-15 1.5220678023e-14 -1.74637253106e-14 ] [ -9.613059803999998e-16 1.32980660622e-14 4.6463122386e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.1471636 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.465537178729532e-18 } }