{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8824089 5.1483076 4.3874731 ] [ 6.8180873 -2.5638766 -3.8915548 ] [ -1.1437673 -6.4404121 -3.6408051 ] [ -4.3542647 -5.855719 3.9906482 ] [ 5.4826401 -0.3845095 7.0473612 ] [ 4.1688885 7.4678961 -1.3772859 ] [ -5.089175 2.6283135 -6.5158367 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.424658013565845e-09 8.248498073406958e-09 7.029506825208901e-09 ] [ 1.09237800706334e-08 -4.107783147136193e-09 -6.23495811912202e-09 ] [ -1.83251722769554e-09 -1.031867769493743e-08 -5.833212812109406e-09 ] [ -6.976301103114726e-09 -9.381896079774355e-09 6.393723247877602e-09 ] [ 8.784157788480575e-09 -6.160521313754976e-10 1.129111735297303e-08 ] [ 6.679295689421981e-09 1.19648885379835e-08 -2.206655269137487e-09 ] [ -8.15375720415984e-09 4.211022441833021e-09 -1.043952122569062e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 52.3761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.39157629086829e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6332772 6.4608646 5.2038511 ] [ 8.6669974 1.4400165 -0.4086507 ] [ 2.8396884 -2.9014415 -1.5116969 ] [ 1.0976422 -0.8732829 5.3347874 ] [ 7.2573148 2.9202833 6.669224 ] [ 6.666021 8.2728741 1.4163555 ] [ 1.258464 4.3433063 -1.8375834 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.332772e-11 6.4608646e-10 5.2038511e-10 ] [ 8.6669974e-10 1.4400165e-10 -4.086507e-11 ] [ 2.8396884e-10 -2.9014415e-10 -1.5116969e-10 ] [ 1.0976422e-10 -8.732829e-11 5.3347874e-10 ] [ 7.2573148e-10 2.9202833e-10 6.669224e-10 ] [ 6.666021e-10 8.2728741e-10 1.4163555e-10 ] [ 1.258464e-10 4.3433063e-10 -1.8375834e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ -0.0 -0.0 -0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 2.6645353e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.269056162956315e-34 } }