{ "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" [ [ 1.803671 2.545248 2.102248 ] [ 1.259758 2.236074 4.250707 ] [ 2.077592 4.735817 2.343172 ] [ 2.945146 3.702359 3.858992 ] [ 3.151976 1.102961 3.497539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.803671e-10 2.545248e-10 2.102248e-10 ] [ 1.259758e-10 2.236074e-10 4.250707e-10 ] [ 2.077592e-10 4.735817000000001e-10 2.343172e-10 ] [ 2.945146e-10 3.702359e-10 3.858992e-10 ] [ 3.151976e-10 1.102961e-10 3.497539e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6587039 -2.7022047 -4.7394564 ] [ -3.5664516 -1.0243931 3.5749005 ] [ -3.0270321 6.1851385 -5.1811755 ] [ 5.9119276 -2.1413278 6.4215897 ] [ 1.34026 -0.3172128 -0.0758583 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.055359997304672e-09 -4.329409230624979e-09 -7.593446301941757e-09 ] [ -5.714085419811914e-09 -1.641258688850825e-09 5.727622049974917e-09 ] [ -4.849840100987951e-09 9.909684382753808e-09 -8.301158322753266e-09 ] [ 9.471952262619698e-09 -3.430785366894625e-09 1.028852097047507e-08 ] [ 2.14733325548484e-09 -5.082309361657152e-10 -1.215383957549622e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.18481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.792004123772954e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6061374 2.5744872 2.1029848 ] [ 1.1534093 1.9602882 4.4554525 ] [ 2.3108038 4.8494015 2.0557529 ] [ 2.9049884 3.6530856 4.0280094 ] [ 3.262804 1.2851965 3.4104584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6061374e-10 2.5744872e-10 2.1029848e-10 ] [ 1.1534093e-10 1.9602882e-10 4.4554525e-10 ] [ 2.3108038e-10 4.8494015e-10 2.0557529e-10 ] [ 2.9049884e-10 3.6530856e-10 4.0280094e-10 ] [ 3.262804e-10 1.2851965e-10 3.4104584e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-06 -7.5e-06 8.1e-06 ] [ 5.9e-06 6e-07 -1.2e-05 ] [ 8e-07 1.1e-06 1.8e-06 ] [ 2.2e-06 3.7e-06 1.1e-06 ] [ -6.3e-06 2.1e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.165659248399999e-15 -1.2016324755e-14 1.29776307354e-14 ] [ 9.452842140600001e-15 9.613059803999998e-16 -1.9226119608e-14 ] [ 1.2817413072e-15 1.7623942974e-15 2.8839179412e-15 ] [ 3.5247885948e-15 5.9280535458e-15 1.7623942974e-15 ] [ -1.00937127942e-14 3.364570931399999e-15 1.7623942974e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.106836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260164301887002e-18 } }