{ "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" [ [ 1.492003 2.387549 2.170669 ] [ 2.788135 3.420279 0.7006935 ] [ 2.516882 3.82705 3.771673 ] [ 3.610971 1.743132 2.445693 ] [ 4.42605 4.234183 2.406002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.492003e-10 2.387549e-10 2.170669e-10 ] [ 2.788135e-10 3.420279e-10 7.006935e-11 ] [ 2.516882e-10 3.82705e-10 3.771673e-10 ] [ 3.610971e-10 1.743132e-10 2.445693e-10 ] [ 4.42605e-10 4.234183e-10 2.406002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6095498 -0.7355252 0.7333898 ] [ 1.6283384 0.3760922 1.0086396 ] [ 0.8260764 -1.1134662 -1.5204225 ] [ 0.6328917 2.5606952 0.1328867 ] [ -0.4777568 -1.087796 -0.3544937 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.180959680373316e-09 -1.178441279449244e-09 1.175019991493188e-09 ] [ 2.608885715230879e-09 6.025661301052378e-10 1.616018785933064e-09 ] [ 1.323520295074629e-09 -1.783969513691017e-09 -2.435985383238288e-09 ] [ 1.014004285238367e-09 4.10268598243478e-09 2.129079639552634e-10 ] [ -7.654507753882214e-10 -1.742841319399757e-09 -5.67961518360889e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.03349 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.209718931103059e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3595905 2.1840128 2.2144527 ] [ 2.7433117 3.6250776 0.9676943 ] [ 2.4780933 3.8569275 3.4375908 ] [ 3.6790195 1.8853107 2.4915532 ] [ 4.5740259 4.0608644 2.3834395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3595905e-10 2.1840128e-10 2.2144527e-10 ] [ 2.7433117e-10 3.6250776e-10 9.676943e-11 ] [ 2.4780933e-10 3.8569275e-10 3.4375908e-10 ] [ 3.6790195e-10 1.8853107e-10 2.4915532e-10 ] [ 4.5740259e-10 4.0608644e-10 2.3834395e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 1e-07 0.0 ] [ 0.0 1e-07 -2e-07 ] [ -0.0 1e-07 2e-07 ] [ 2e-07 -2e-07 0.0 ] [ -4e-07 -2e-07 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-16 1.6021766208e-16 0.0 ] [ 0.0 1.6021766208e-16 -3.2043532416e-16 ] [ 0.0 1.6021766208e-16 3.2043532416e-16 ] [ 3.2043532416e-16 -3.2043532416e-16 0.0 ] [ -6.408706483200001e-16 -3.2043532416e-16 0.0 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }