{ "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" [ [ 1.463646 2.399639 1.70499 ] [ 1.562869 2.634357 3.942252 ] [ 0.7671946 4.252199 0.5443388 ] [ 2.243771 4.169464 2.448835 ] [ 3.362616 2.323379 2.490002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.463646e-10 2.399639e-10 1.70499e-10 ] [ 1.562869e-10 2.634357e-10 3.942252e-10 ] [ 7.671945999999999e-11 4.252199e-10 5.443388e-11 ] [ 2.243771e-10 4.169464e-10 2.448835e-10 ] [ 3.362616e-10 2.323379e-10 2.490002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.1547157 -9.5841418 -10.1151409 ] [ -5.6997306 -2.2730503 12.5853568 ] [ -1.6834871 1.8516404 -2.5101538 ] [ 2.7842526 16.1442668 0.8962727 ] [ 13.7536808 -6.1387151 -0.8563349 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.466747146461071e-08 -1.535548792239203e-08 -1.620624226607787e-08 ] [ -9.131975112178356e-09 -3.641828048562426e-09 2.01639644293863e-08 ] [ -2.697243673038392e-09 2.966654959008761e-09 -4.021709732972279e-09 ] [ 4.460864422121614e-09 2.586596682691763e-08 1.435987165801292e-09 ] [ 2.203582582770584e-08 -9.835305814971934e-09 -1.371999756355106e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.0992571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.363380646668408e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2584034 1.8067277 1.6958589 ] [ 1.0511478 2.9052146 3.8354184 ] [ 1.0293553 4.0717266 0.8929498 ] [ 2.5016358 4.504887 2.7563091 ] [ 3.5595543 2.4904821 1.9498816 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2584034e-10 1.8067277e-10 1.6958589e-10 ] [ 1.0511478e-10 2.9052146e-10 3.8354184e-10 ] [ 1.0293553e-10 4.0717266e-10 8.929498e-11 ] [ 2.5016358e-10 4.504887e-10 2.7563091e-10 ] [ 3.5595543e-10 2.4904821e-10 1.9498816e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 1.7e-06 -5e-07 ] [ 4.9e-06 3e-07 -4.8e-06 ] [ 1.6e-06 -2e-06 3e-06 ] [ -1.4e-06 -1.3e-06 -1e-06 ] [ -5.1e-06 1.3e-06 3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 2.72370025536e-15 -8.010883104e-16 ] [ 7.850665441919999e-15 4.8065298624e-16 -7.69044777984e-15 ] [ 2.56348259328e-15 -3.2043532416e-15 4.8065298624e-15 ] [ -2.24304726912e-15 -2.08282960704e-15 -1.6021766208e-15 ] [ -8.17110076608e-15 2.08282960704e-15 5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.3509582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.337970998931805e-18 } }