{ "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" [ [ 1.497272 0.041495 0.0459008 ] [ 0.5144624 2.623314 0.1336692 ] [ 0.1881884 1.665255 2.217108 ] [ 2.303156 0.3070008 2.474488 ] [ 2.009269 2.269424 0.9602388 ] [ 2.927445 2.103094 2.701001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.497272e-10 4.1495e-12 4.59008e-12 ] [ 5.144624e-11 2.623314e-10 1.336692e-11 ] [ 1.881884e-11 1.665255e-10 2.217108e-10 ] [ 2.303156e-10 3.070008e-11 2.474488e-10 ] [ 2.009269e-10 2.269424e-10 9.602388e-11 ] [ 2.927445e-10 2.103094e-10 2.701001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0126684 1.5601121 0.5904762 ] [ -22.1386593 3.9008942 -13.1245098 ] [ -5.7679878 -1.6007805 2.0505422 ] [ -4.698584 -12.7478113 -1.3401126 ] [ 20.3940656 -2.359664 0.8923195 ] [ 12.2238339 11.2472495 10.9312846 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.02970144701656e-11 2.499575153040671e-09 9.460471705731107e-10 ] [ -3.54700426385468e-08 6.249921538946123e-09 -2.102778293426401e-08 ] [ -9.241335278357065e-09 -2.564733113262836e-09 3.285330799870955e-09 ] [ -7.527961497686256e-09 -2.042424539950116e-08 -2.147097094648988e-09 ] [ 3.267489537658319e-08 -3.780598524890976e-09 1.429653452962563e-09 ] [ 1.958474105247709e-08 1.802008034566818e-08 1.751384876572404e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4620456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.75116183416251e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8332744 0.3456489 -0.0134878 ] [ 0.0297611 1.9247562 -0.1285824 ] [ -0.0031266 2.012855 2.2694638 ] [ 1.7875892 0.3670815 2.4229643 ] [ 2.1528656 2.5690134 1.1087336 ] [ 3.6394291 1.7902277 2.8733144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8332744e-10 3.456489e-11 -1.34878e-12 ] [ 2.97611e-12 1.9247562e-10 -1.285824e-11 ] [ -3.126600000000001e-13 2.012855e-10 2.2694638e-10 ] [ 1.7875892e-10 3.670815e-11 2.4229643e-10 ] [ 2.1528656e-10 2.5690134e-10 1.1087336e-10 ] [ 3.6394291e-10 1.7902277e-10 2.8733144e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.1e-06 7.3e-06 5.41e-05 ] [ 3.5e-06 -1.77e-05 -1.11e-05 ] [ 4.6e-06 1.52e-05 -1.2e-05 ] [ 2.97e-05 2.9e-06 -3.51e-05 ] [ -1.94e-05 2.38e-05 1.54e-05 ] [ -1.13e-05 -3.16e-05 -1.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.13754541014e-14 1.16958894282e-14 8.66777558994e-14 ] [ 5.607618218999999e-15 -2.83585264218e-14 -1.77841606374e-14 ] [ 7.370012516399999e-15 2.43530848368e-14 -1.9226119608e-14 ] [ 4.75846460298e-14 4.6463122386e-15 -5.62363998534e-14 ] [ -3.10822266996e-14 3.81318038892e-14 2.46735201636e-14 ] [ -1.81045959642e-14 -5.06287816344e-14 -1.82648136276e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.068901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.734739435025923e-18 } }