{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9066878 5.0042345 -4.1186657 ] [ 6.8235997 -0.1814503 4.6173993 ] [ -417.058509 1290.6692496 -411.9618937 ] [ 460.1990127 -1356.7439981 66.1086163 ] [ -53.8707913 61.2519643 345.3545439 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.259203857924587e-09 8.017667520900777e-09 -6.598829893430867e-09 ] [ 1.093261190903789e-08 -2.907154284971462e-10 7.397889207358285e-09 ] [ -6.682013926255064e-07 2.0678800968946e-06 -6.600357147466349e-07 ] [ 7.373200990631823e-07 -2.17374351416654e-06 1.059176794692978e-07 ] [ -8.631052236485604e-08 9.813646517953624e-08 5.533189761236273e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 180.53992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.892568389451024e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.0897872 0.1987694 2.5019248 ] [ 0.5715469 1.7860581 1.0459916 ] [ 2.3590512 3.0389705 0.6680437 ] [ 2.5944558 0.864185 1.0183453 ] [ 2.0072679 2.2063638 2.6906246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0897872e-10 1.987694e-11 2.5019248e-10 ] [ 5.715469e-11 1.7860581e-10 1.0459916e-10 ] [ 2.3590512e-10 3.0389705e-10 6.680437000000001e-11 ] [ 2.5944558e-10 8.64185e-11 1.0183453e-10 ] [ 2.0072679e-10 2.2063638e-10 2.6906246e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.75e-05 -0.0001167 0.0001064 ] [ 5.53e-05 1.76e-05 -3.15e-05 ] [ 7.18e-05 -1.63e-05 3.96e-05 ] [ -8.97e-05 4.35e-05 -9e-05 ] [ -6.49e-05 7.2e-05 -2.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.4059857072e-14 -1.8697401164736e-13 1.7047159245312e-13 ] [ 8.860036713024e-14 2.819830852608e-14 -5.04685635552e-14 ] [ 1.1503628137344e-13 -2.611547891904e-14 6.344619418368e-14 ] [ -1.4371524288576e-13 6.969468300480001e-14 -1.44195895872e-13 ] [ -1.0398126268992e-13 1.153567166976e-13 -3.909310954752e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }