{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -102.1527425 -42.3526868 -22.1124225 ] [ -406.87806 -303.9268541 -123.0815471 ] [ -35.7235717 60.7255675 -4.0177739 ] [ 39.6664868 -40.7053423 -62.4994082 ] [ 89.066586 13.0257848 101.2479357 ] [ 416.0213013 313.233531 110.4632161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.636667371325187e-07 -6.785648517808023e-08 -3.542800665063586e-08 ] [ -6.518905206192499e-07 -4.86944504084147e-07 -1.971983788401904e-07 ] [ -5.723547186076365e-08 9.729308533488978e-08 -6.437183463275052e-09 ] [ 6.355271830382943e-08 -6.521714831203181e-08 -1.00135091456868e-07 ] [ 1.427004029593515e-07 2.086960804607236e-08 1.622170768192744e-07 ] [ 6.665396081891337e-07 5.018554443535147e-07 1.769815837519126e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 124.33693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.992097239892936e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.2514126 0.5120337 2.5851205 ] [ 1.0034499 1.3230821 0.4082368 ] [ 0.6568017 3.0563411 2.5527687 ] [ 3.2817455 0.1456738 1.0362487 ] [ 2.2463026 0.9167142 3.3394342 ] [ 3.0950087 2.8035256 1.4838923 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.514126e-11 5.120337000000001e-11 2.5851205e-10 ] [ 1.0034499e-10 1.3230821e-10 4.082368000000001e-11 ] [ 6.568017000000001e-11 3.0563411e-10 2.5527687e-10 ] [ 3.2817455e-10 1.456738e-11 1.0362487e-10 ] [ 2.2463026e-10 9.167142000000001e-11 3.3394342e-10 ] [ 3.0950087e-10 2.8035256e-10 1.4838923e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.36e-05 -2.04e-05 4.34e-05 ] [ -9.8e-06 -2.62e-05 -9.2e-05 ] [ -1.97e-05 6.44e-05 1.99e-05 ] [ 2.8e-05 1.6e-05 -2.02e-05 ] [ 5.6e-06 -3.83e-05 5.25e-05 ] [ 2.96e-05 4.5e-06 -3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.383313490239999e-14 -3.26844033336e-14 6.953446591559999e-14 ] [ -1.57013310132e-14 -4.197702781079999e-14 -1.47400250328e-13 ] [ -3.15628796898e-14 1.031801752296e-13 3.18833150166e-14 ] [ 4.486094575199999e-14 2.5634826144e-14 -3.236396800679999e-14 ] [ 8.972189150399999e-15 -6.13633650822e-14 8.4114273285e-14 ] [ 4.74244283664e-14 7.209794853e-15 -5.9280535458e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.832972 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.337810095517625e-18 } }