{ "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" [ [ 0.2609343 1.090408 2.782185 ] [ 0.9561081 2.831858 1.606096 ] [ 1.573969 0.2926919 1.087299 ] [ 2.9831 1.515461 0.0011433 ] [ 2.828068 2.074027 2.745594 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.609343e-11 1.090408e-10 2.782185e-10 ] [ 9.561081000000001e-11 2.831858e-10 1.606096e-10 ] [ 1.573969e-10 2.926919e-11 1.087299e-10 ] [ 2.9831e-10 1.515461e-10 1.1433e-13 ] [ 2.828068e-10 2.074027e-10 2.745594e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.8135451 -2.7442823 4.1617131 ] [ -3.2989986 8.4644002 -1.2243422 ] [ -4.1602507 -12.4889847 0.0586128 ] [ 7.2974917 4.3486118 -7.4406257 ] [ 6.9753027 2.420255 4.4446421 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.091650275392519e-08 -4.396824978159777e-09 6.667799486231705e-09 ] [ -5.285578472518711e-09 1.356146422126493e-08 -1.961612464860154e-09 ] [ -6.665456463122142e-09 -2.00095594687235e-08 9.390805861331519e-11 ] [ 1.169187068854894e-08 6.96724421629668e-09 -1.192119663887989e-08 ] [ 1.117566700101711e-08 3.87767600932167e-09 7.121101719112691e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8585357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.098858564199483e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.2792423 0.9831721 2.2086438 ] [ 0.8825368 3.1450376 2.8441272 ] [ 1.3217616 -0.3794571 0.7918681 ] [ 3.4735104 0.9396693 0.5528601 ] [ 3.2036128 3.116024 1.8248181 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.792423e-11 9.831721000000001e-11 2.2086438e-10 ] [ 8.825368000000001e-11 3.145037600000001e-10 2.8441272e-10 ] [ 1.3217616e-10 -3.794571e-11 7.918681e-11 ] [ 3.4735104e-10 9.396693000000001e-11 5.528601e-11 ] [ 3.2036128e-10 3.116024e-10 1.8248181e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.86e-05 7.3e-06 -3.9e-06 ] [ 7e-06 -1.13e-05 2.13e-05 ] [ 2.06e-05 9.2e-06 -8.9e-06 ] [ -6.5e-06 -5.4e-06 2.36e-05 ] [ -2.5e-06 3e-07 -3.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.98004853924e-14 1.16958894282e-14 -6.248488872599999e-15 ] [ 1.1215236438e-14 -1.81045959642e-14 3.41263623042e-14 ] [ 3.300483866039999e-14 1.47400250328e-14 -1.42593720426e-14 ] [ -1.0414148121e-14 -8.6517538236e-15 3.78113685624e-14 ] [ -4.005441585e-15 4.806529901999999e-16 -5.159008761479998e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.716098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.197561172525413e-18 } }