{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1078869 -4.4344467 3.0353908 ] [ -4.7423843 8.6129084 -0.7571609 ] [ -8.9477125 -3.2143436 -1.9221811 ] [ 0.8799003 -4.5294329 -8.4421444 ] [ 3.1852384 1.4229337 8.8508161 ] [ 1.1035968 -1.1449797 0.5166314 ] [ 6.4134744 3.2873609 -1.281352 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.377207110470588e-09 -7.104766828923711e-09 4.863232174751409e-09 ] [ -7.598137252308975e-09 1.379940047557194e-08 -1.213105492163887e-09 ] [ -1.433581577713992e-08 -5.149946167138107e-09 -3.079673619363627e-09 ] [ 1.409755689294906e-09 -7.256951497862344e-09 -1.352580638709764e-08 ] [ 5.103314496154398e-09 2.279791107088441e-09 1.418057063042024e-08 ] [ 1.768156991749693e-09 -1.834459706630598e-09 8.277347506511731e-10 ] [ 1.027551874177931e-08 5.266932778112047e-09 -2.052952217415322e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3103081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.171240472866487e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7126299 2.3982827 3.8047577 ] [ 1.9276577 5.3601464 2.8929571 ] [ 1.0850983 3.2849536 2.2183191 ] [ 2.5636301 2.6568128 0.5713884 ] [ 2.5237876 4.4112423 4.9026176 ] [ 4.255082 2.8841404 2.1147103 ] [ 4.046752 5.1480248 2.0971399 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7126299e-10 2.3982827e-10 3.8047577e-10 ] [ 1.9276577e-10 5.3601464e-10 2.8929571e-10 ] [ 1.0850983e-10 3.2849536e-10 2.2183191e-10 ] [ 2.5636301e-10 2.6568128e-10 5.713884e-11 ] [ 2.5237876e-10 4.4112423e-10 4.9026176e-10 ] [ 4.255082e-10 2.8841404e-10 2.1147103e-10 ] [ 4.046752e-10 5.1480248e-10 2.0971399e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.12e-05 5e-07 4e-07 ] [ -2.07e-05 -1.08e-05 4.6e-06 ] [ 1.96e-05 9.9e-06 1.8e-06 ] [ -1.1e-06 1.53e-05 -1.36e-05 ] [ -2.37e-05 1.4e-05 2.05e-05 ] [ -2.23e-05 -2.43e-05 2.9e-06 ] [ 1.7e-05 -4.5e-06 -1.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.998791056896e-14 8.010883104e-16 6.408706483200001e-16 ] [ -3.316505605055999e-14 -1.730350750464e-14 7.370012455680001e-15 ] [ 3.140266176767999e-14 1.586154854592e-14 2.88391791744e-15 ] [ -1.76239428288e-15 2.451330229824e-14 -2.178960204288e-14 ] [ -3.797158591296e-14 2.24304726912e-14 3.28446207264e-14 ] [ -3.572853864384e-14 -3.893289188544e-14 4.646312200320001e-15 ] [ 2.72370025536e-14 -7.2097947936e-15 -2.659613190528e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }