{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9898541 -0.3406812 0.0543134 ] [ -1.8038291 1.5192662 -2.1322519 ] [ -5.0530112 3.2093858 2.6561184 ] [ -0.083308 -4.5517031 -3.7879153 ] [ 3.4745939 -4.4066373 4.0926282 ] [ 1.9581756 2.2052668 -0.9126743 ] [ 2.4972329 2.3651027 0.0297815 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.585921097023025e-09 -5.45831453786089e-10 8.701965967615872e-11 ] [ -2.890052811938705e-09 2.434132786411657e-09 -3.416244143836379e-09 ] [ -8.095816409280554e-09 5.142002895887505e-09 4.255570802556703e-09 ] [ -1.334741299256064e-10 -7.292632291642885e-09 -6.068909335230619e-09 ] [ 5.566913113354293e-09 -7.060211258405236e-09 6.557113219666787e-09 ] [ 3.137343165741012e-09 3.533226909586429e-09 -1.462265425865005e-09 ] [ 4.001008169072584e-09 3.789312251730957e-09 4.77152230323552e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -16.720857 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.678976616514002e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6010665 1.7295872 3.2004531 ] [ 1.9326793 3.5450046 1.2639517 ] [ 1.9518576 4.1566083 3.6881878 ] [ 3.5503847 1.4185882 1.3951308 ] [ 3.9997634 1.4647085 3.8542552 ] [ 4.4195654 3.7629018 1.4027582 ] [ 4.3609211 3.8680433 3.8302151 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6010665e-10 1.7295872e-10 3.2004531e-10 ] [ 1.9326793e-10 3.5450046e-10 1.2639517e-10 ] [ 1.9518576e-10 4.1566083e-10 3.6881878e-10 ] [ 3.5503847e-10 1.4185882e-10 1.3951308e-10 ] [ 3.9997634e-10 1.4647085e-10 3.8542552e-10 ] [ 4.4195654e-10 3.7629018e-10 1.4027582e-10 ] [ 4.3609211e-10 3.8680433e-10 3.8302151e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.5e-06 -5.9e-06 1.04e-05 ] [ 8.1e-06 -5.6e-06 -9.5e-06 ] [ -1.08e-05 3.9e-06 1.36e-05 ] [ -4.9e-06 5.7e-06 5.4e-06 ] [ 1e-07 -8.8e-06 3.8e-06 ] [ 1.74e-05 1.64e-05 -1.25e-05 ] [ -2.4e-06 -5.7e-06 -1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2016324656e-14 -9.45284206272e-15 1.666263685632e-14 ] [ 1.297763062848e-14 -8.972189076479999e-15 -1.52206778976e-14 ] [ -1.730350750464e-14 6.24848882112e-15 2.178960204288e-14 ] [ -7.850665441919999e-15 9.13240673856e-15 8.65175375232e-15 ] [ 1.6021766208e-16 -1.409915426304e-14 6.08827115904e-15 ] [ 2.787787320192e-14 2.627569658112e-14 -2.002720776e-14 ] [ -3.84522388992e-15 -9.13240673856e-15 -1.794437815296e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }