{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0662807 0.8720519 0.0908129 ] [ 1.491471 1.392356 0.9155942 ] [ 0.0089195 1.355999 1.632084 ] [ 2.755779 1.093572 2.625507 ] [ 1.848544 2.519779 2.293479 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.62807e-12 8.720519e-11 9.08129e-12 ] [ 1.491471e-10 1.392356e-10 9.155942e-11 ] [ 8.919500000000001e-13 1.355999e-10 1.632084e-10 ] [ 2.755779e-10 1.093572e-10 2.625507e-10 ] [ 1.848544e-10 2.519779e-10 2.293479e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.7627114 -22.0969537 -55.9344499 ] [ 55.3283593 -2.0040343 -22.9113885 ] [ -42.1230693 11.557076 58.945576 ] [ 19.8596094 -25.3640495 9.8356551 ] [ -10.3021879 37.9079616 10.0646072 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.646988403109764e-08 -3.540322260904006e-08 -8.96168679270889e-08 ] [ 8.864580373768226e-08 -3.210816902741293e-09 -3.670809100476599e-08 ] [ -6.748859682879821e-08 1.851647697200878e-08 9.444122376678959e-08 ] [ 3.181860187889991e-08 -4.063768711771393e-08 1.575845665147229e-08 ] [ -1.650592459646865e-08 6.073524981770416e-08 1.612527835337535e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.257417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.726248977759648e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0586807 0.6515141 0.1058676 ] [ 2.2439151 1.3746533 0.4620932 ] [ -0.6711211 1.8243439 1.9775705 ] [ 3.0469614 0.8011927 2.6227464 ] [ 1.492558 2.5820539 2.3891994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.86807e-12 6.515141e-11 1.058676e-11 ] [ 2.2439151e-10 1.3746533e-10 4.620932e-11 ] [ -6.711211e-11 1.8243439e-10 1.9775705e-10 ] [ 3.0469614e-10 8.011927e-11 2.6227464e-10 ] [ 1.492558e-10 2.5820539e-10 2.3891994e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.45e-05 4.78e-05 -1.84e-05 ] [ -7.21e-05 -6.72e-05 -2.33e-05 ] [ 4.55e-05 -1.6e-06 5.08e-05 ] [ -8.1e-06 -0.0 2.2e-06 ] [ -5.99e-05 2.1e-05 -1.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.514056906656e-13 7.658404247424001e-14 -2.948004982272e-14 ] [ -1.1551693435968e-13 -1.0766626891776e-13 -3.733071526464e-14 ] [ 7.28990362464e-14 -2.56348259328e-15 8.139057233664001e-14 ] [ -1.297763062848e-14 0.0 3.52478856576e-15 ] [ -9.597037958592001e-14 3.36457090368e-14 -1.826481347712e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.846255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.21841460466351e-18 } }