{ "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" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.9943057 -12.6652109 4.5527955 ] [ -3.2885092 12.5405673 -4.1188592 ] [ -13.7833123 -28.6843504 -28.7783951 ] [ 16.736687 25.7320484 27.797665 ] [ -0.6591712 3.0769456 0.5467937 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 1.593053346468178e-09 -2.029190480148133e-08 7.294382509383447e-09 ] [ -5.268772557525711e-09 2.009220373962898e-08 -6.599139914606991e-09 ] [ -2.208330072424508e-08 -4.595739559371513e-08 -4.610807181336528e-08 ] [ 2.681512862104729e-08 4.122728635177405e-08 4.453676897583043e-08 ] [ -1.056108685744681e-09 4.929810303793429e-09 8.76060082540729e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 4.421172 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.083498414935578e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1515051 0.6129927 0.4125648 ] [ -0.6507542 0.6591964 2.9810656 ] [ 0.2178013 2.6606132 2.6743797 ] [ 2.9845168 -0.6854574 1.4945855 ] [ 3.5426177 1.3925384 1.9549819 ] [ 2.3270147 3.1933917 2.3330213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ -6.507542e-11 6.591964e-11 2.9810656e-10 ] [ 2.178013e-11 2.6606132e-10 2.6743797e-10 ] [ 2.9845168e-10 -6.854574000000001e-11 1.4945855e-10 ] [ 3.5426177e-10 1.3925384e-10 1.9549819e-10 ] [ 2.3270147e-10 3.1933917e-10 2.3330213e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.1618153 0.3699881 -0.0121115 ] [ -0.3222802 -0.284029 0.1631963 ] [ 0.2090772 -0.1909182 -0.039089 ] [ -0.0072329 0.3389368 -0.0440838 ] [ 0.2822513 -0.2339777 -0.067912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ -2.592566905477383e-10 5.927862837942125e-10 -1.94047621428192e-11 ] [ -5.163498017867482e-10 -4.550646234292031e-10 2.61469296461063e-10 ] [ 3.349786017823257e-10 -3.058846765252186e-10 -6.26274819304512e-11 ] [ -1.158838328058432e-11 5.430366168887654e-10 -7.063003371602304e-11 ] [ 4.522164340504071e-10 -3.748736007285562e-10 -1.088070186717696e-10 ] ] } "relaxed-potential-energy" { "source-value" -10.451046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.674442156410536e-18 } }