{ "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" [ [ 0.635409 0.2945373 0.4894103 ] [ 0.6913641 0.4672635 2.355287 ] [ 2.952385 0.4157679 2.192681 ] [ 2.385934 1.774442 0.4759126 ] [ 2.093707 2.943435 1.550224 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.35409e-11 2.945373e-11 4.894103e-11 ] [ 6.913641e-11 4.672635e-11 2.355287e-10 ] [ 2.952385e-10 4.157679e-11 2.192681e-10 ] [ 2.385934000000001e-10 1.774442e-10 4.759126e-11 ] [ 2.093707e-10 2.943435e-10 1.550224e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.0332546 -3.1050204 -20.5567107 ] [ -11.2637364 -7.3142218 24.4548999 ] [ 11.3112554 -3.4628725 8.4952763 ] [ 14.4420883 -18.7055872 -36.6567213 ] [ -5.4563528 32.5877018 24.2632558 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.447286932985405e-08 -4.974791091987064e-09 -3.29354812840892e-08 ] [ -1.804649512293396e-08 -1.171867516730569e-08 3.918106888378426e-08 ] [ 1.812262895377775e-08 -5.548133360311248e-09 1.361093307509633e-08 ] [ 2.313877622978922e-08 -2.996965449017574e-08 -5.873054186204139e-08 ] [ -8.742040890996618e-09 5.221125394956207e-08 3.887402118725e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.0021298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.014295419766979e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2493047 0.5930483 0.5087188 ] [ 0.8373108 -0.8890243 2.2758731 ] [ 2.8622636 0.3157177 2.6124347 ] [ 2.2742598 1.7977923 0.8452843 ] [ 2.5356602 4.0779118 0.8212039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.493047e-11 5.930483e-11 5.087188000000001e-11 ] [ 8.373108000000001e-11 -8.890243e-11 2.2758731e-10 ] [ 2.8622636e-10 3.157177e-11 2.6124347e-10 ] [ 2.2742598e-10 1.7977923e-10 8.452843e-11 ] [ 2.5356602e-10 4.0779118e-10 8.212039e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-06 5e-06 3.8e-06 ] [ -9.7e-06 5.7e-06 -1.37e-05 ] [ 1.79e-05 -7.8e-06 1.51e-05 ] [ 8e-06 1.76e-05 2.2e-06 ] [ -1.36e-05 -2.05e-05 -7.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.32587687616e-15 8.010883104e-15 6.08827115904e-15 ] [ -1.554111322176e-14 9.13240673856e-15 -2.194981970496e-14 ] [ 2.867896151232001e-14 -1.249697764224e-14 2.419286697408e-14 ] [ 1.28174129664e-14 2.819830852608e-14 3.52478856576e-15 ] [ -2.178960204288e-14 -3.28446207264e-14 -1.185610699392e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.303473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.811016017444404e-18 } }