{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0064658 -2.9349196 -2.4030653 ] [ -3.3801541 2.3495414 -1.0596756 ] [ -2.9627683 -2.2829401 2.3261796 ] [ 2.3346938 -1.5960787 -0.3162751 ] [ 2.1874141 -1.7971682 1.4566595 ] [ 2.5806238 2.6473447 -2.3414149 ] [ 1.2466564 3.6142206 2.3375917 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.214712595194768e-09 -4.702259567047688e-09 -3.850135041915739e-09 ] [ -5.415603873721265e-09 3.764380300681701e-09 -1.697787471952213e-09 ] [ -4.74687810310736e-09 -3.657673254906814e-09 3.726950570901896e-09 ] [ 3.740591823086711e-09 -2.557199978096857e-09 -5.06728570961182e-10 ] [ 3.504623731028273e-09 -2.879380873685218e-09 2.333825795366218e-09 ] [ 4.134615119440056e-09 4.24151378553879e-09 -3.751360212372771e-09 ] [ 1.997363738250693e-09 5.790619747733748e-09 3.745234770716127e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.365267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.622004818054976e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9952725 1.5679964 0.7957322 ] [ 1.7209518 4.9876707 1.2851941 ] [ 1.8737799 2.9041574 2.3936076 ] [ 4.4977122 3.1283231 -0.2607474 ] [ 3.4568253 3.3557629 4.0925152 ] [ 4.0427519 5.1566507 0.8684873 ] [ 4.9593014 4.9160629 3.0360498 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9952725e-10 1.5679964e-10 7.957322e-11 ] [ 1.7209518e-10 4.9876707e-10 1.2851941e-10 ] [ 1.8737799e-10 2.9041574e-10 2.3936076e-10 ] [ 4.4977122e-10 3.1283231e-10 -2.607474e-11 ] [ 3.4568253e-10 3.3557629e-10 4.092515200000001e-10 ] [ 4.0427519e-10 5.1566507e-10 8.684872999999999e-11 ] [ 4.959301400000001e-10 4.9160629e-10 3.0360498e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-05 1.84e-05 -1e-06 ] [ -2.6e-05 -1.06e-05 -1.96e-05 ] [ 1.04e-05 1.57e-05 5.7e-06 ] [ 2.44e-05 4.9e-06 -2e-06 ] [ 8.7e-06 -2.75e-05 3.1e-05 ] [ 4.1e-06 -1e-05 -8.5e-06 ] [ 1.3e-06 9.1e-06 -5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-14 2.948004982272e-14 -1.6021766208e-15 ] [ -4.16565921408e-14 -1.698307218048e-14 -3.140266176767999e-14 ] [ 1.666263685632e-14 2.515417294656e-14 9.13240673856e-15 ] [ 3.909310954752e-14 7.850665441919999e-15 -3.2043532416e-15 ] [ 1.393893660096e-14 -4.4059857072e-14 4.96674752448e-14 ] [ 6.568924145279999e-15 -1.6021766208e-14 -1.36185012768e-14 ] [ 2.08282960704e-15 1.457980724928e-14 -8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }