{ "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" [ [ 2.540217 1.926823 2.952568 ] [ 2.854129 4.107646 2.592063 ] [ 4.285683 2.772049 1.445355 ] [ 4.895674 1.171417 3.307712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.540217e-10 1.926823e-10 2.952568e-10 ] [ 2.854129e-10 4.107646e-10 2.592063e-10 ] [ 4.285683e-10 2.772049e-10 1.445355e-10 ] [ 4.895674e-10 1.171417e-10 3.307712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5788992 -1.9891094 1.2508522 ] [ -0.6018003 2.0351892 0.2657293 ] [ 1.9256334 -0.5697984 -0.8834238 ] [ -0.7449339 0.5237185 -0.6331578 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.274987640398233e-10 -3.186904576893515e-09 2.004086150916246e-09 ] [ -9.641903710504263e-10 3.260732555144656e-09 4.257452719215494e-10 ] [ 3.085204813711615e-09 -9.129176750492468e-10 -1.415400958618295e-09 ] [ -1.193515678621365e-09 8.390895365804448e-10 -1.014430624437162e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4806309 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.780938695214063e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5019088 1.9375121 3.5499108 ] [ 2.7609409 3.7994883 2.2858165 ] [ 4.7859428 3.0514555 1.5989385 ] [ 4.5269105 1.1894791 2.8630323 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5019088e-10 1.9375121e-10 3.5499108e-10 ] [ 2.7609409e-10 3.7994883e-10 2.2858165e-10 ] [ 4.7859428e-10 3.0514555e-10 1.5989385e-10 ] [ 4.5269105e-10 1.1894791e-10 2.8630323e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 -1e-07 0.0 ] [ 1e-07 0.0 1e-07 ] [ 1e-07 0.0 -2e-07 ] [ 0.0 1e-07 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 -1.6021766208e-16 0.0 ] [ 1.6021766208e-16 0.0 1.6021766208e-16 ] [ 1.6021766208e-16 0.0 -3.2043532416e-16 ] [ 0.0 1.6021766208e-16 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -6.4872904 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.039378501122028e-18 } }