{ "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" [ [ 1.331987 2.725643 2.897481 ] [ 2.736578 2.541304 1.125105 ] [ 1.73273 1.005545 4.481047 ] [ 2.473311 4.730527 2.221702 ] [ 3.99816 2.852734 3.21894 ] [ 4.698265 3.839392 1.5336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.331987e-10 2.725643e-10 2.897481e-10 ] [ 2.736578e-10 2.541304e-10 1.125105e-10 ] [ 1.73273e-10 1.005545e-10 4.481047e-10 ] [ 2.473311e-10 4.730527000000001e-10 2.221702e-10 ] [ 3.99816e-10 2.852734e-10 3.21894e-10 ] [ 4.698265e-10 3.839392e-10 1.5336e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8744441 -2.1883745 2.5172593 ] [ -2.6964621 -6.1134267 -7.8600467 ] [ 0.2496659 0.7507305 -0.5348603 ] [ -3.6808118 9.0690153 0.5455934 ] [ 5.0414749 -4.3028954 8.8048957 ] [ 5.9605772 2.7849508 -3.4728414 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.809720376416497e-09 -3.50616246145489e-09 4.033093998951374e-09 ] [ -4.320208535493272e-09 -9.794789331714495e-09 -1.259318306113619e-08 ] [ 4.000088679909907e-10 1.202802855621494e-09 -8.569406680540742e-10 ] [ -5.897310611524765e-09 1.45301642873375e-08 8.741369899427828e-10 ] [ 8.077333219130018e-09 -6.893998411627864e-09 1.410699803912245e-08 ] [ 9.549897436313527e-09 4.461983061838256e-09 -5.564105298826341e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0090697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.025414365297671e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1598889 2.8270565 2.4416559 ] [ 2.6635454 2.2187538 0.7598448 ] [ 2.2417048 1.807141 4.1525724 ] [ 2.3233749 4.8507531 2.5439197 ] [ 4.3988598 2.3722775 3.7302537 ] [ 4.1836571 3.619163 1.8496284 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1598889e-10 2.8270565e-10 2.4416559e-10 ] [ 2.6635454e-10 2.2187538e-10 7.598448000000001e-11 ] [ 2.2417048e-10 1.807141e-10 4.1525724e-10 ] [ 2.3233749e-10 4.8507531e-10 2.5439197e-10 ] [ 4.398859800000001e-10 2.3722775e-10 3.7302537e-10 ] [ 4.1836571e-10 3.619163e-10 1.8496284e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.01e-05 9.7e-06 -1.34e-05 ] [ 1.72e-05 2.26e-05 4.01e-05 ] [ -4.3e-06 6.5e-06 1.92e-05 ] [ -5.9e-06 -2.05e-05 -2.04e-05 ] [ -8.9e-06 -2.72e-05 -2.88e-05 ] [ -3.81e-05 8.9e-06 3.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.424728249408e-14 1.554111322176e-14 -2.146916671872e-14 ] [ 2.755743787776e-14 3.620919163008e-14 6.424728249408e-14 ] [ -6.889359469440001e-15 1.04141480352e-14 3.076179111936e-14 ] [ -9.45284206272e-15 -3.28446207264e-14 -3.268440306432e-14 ] [ -1.425937192512e-14 -4.357920408576e-14 -4.614268667904e-14 ] [ -6.104292925248e-14 1.425937192512e-14 5.44740051072e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.433831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.831901671437829e-18 } }