{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3142934 0.7540522 2.32218 ] [ 0.538251 2.820956 1.392978 ] [ 2.532298 0.1763292 2.432177 ] [ 1.796653 2.418536 0.8624239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.142934e-11 7.540522e-11 2.32218e-10 ] [ 5.38251e-11 2.820956e-10 1.392978e-10 ] [ 2.532298e-10 1.763292e-11 2.432177e-10 ] [ 1.796653e-10 2.418536e-10 8.624239e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.4481601 -1.6319013 4.020223 ] [ -298.9538466 93.0877615 126.8694781 ] [ 6.0614008 4.3649918 -4.2345139 ] [ 306.3406059 -95.8208521 -126.6551872 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.154632770499539e-08 -2.614594110313127e-09 6.441107301002438e-09 ] [ -4.789768637207497e-07 1.491430351579063e-07 2.032673117049176e-07 ] [ 9.711434651058416e-09 6.993487811943711e-09 -6.784439171032629e-09 ] [ 4.908117567746866e-07 -1.535219290197546e-07 -2.029239798348874e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 75.755055 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.213729780284182e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0622699 0.677073 2.6892322 ] [ 0.1219465 2.8227316 1.3905429 ] [ 2.4687785 0.2621612 2.1142662 ] [ 2.5285005 2.4079077 0.8157177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.226990000000001e-12 6.770730000000001e-11 2.6892322e-10 ] [ 1.219465e-11 2.8227316e-10 1.3905429e-10 ] [ 2.4687785e-10 2.621612e-11 2.1142662e-10 ] [ 2.5285005e-10 2.4079077e-10 8.157177e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.88e-05 -2.33e-05 -1.39e-05 ] [ -2.32e-05 3.69e-05 7.3e-06 ] [ -4.5e-06 2.15e-05 1.01e-05 ] [ 8.9e-06 -3.51e-05 -3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.012092047104e-14 -3.733071526464e-14 -2.227025502912e-14 ] [ -3.717049760256e-14 5.912031730752001e-14 1.169588933184e-14 ] [ -7.2097947936e-15 3.44467973472e-14 1.618198387008e-14 ] [ 1.425937192512e-14 -5.623639939008e-14 -5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.092648 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.937455790916388e-18 } }