{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.191497 -2.8130501 -0.3344785 ] [ -1.368873 2.1658722 -0.1055643 ] [ -1.9134443 2.3710561 0.5093692 ] [ 1.6644431 -2.4214764 1.1477764 ] [ -1.4159929 1.2890165 -0.8146455 ] [ 2.6807062 0.4309735 -0.8999786 ] [ 0.5446579 -1.0223918 0.4975213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.06812018881098e-10 -4.507003140491362e-09 -5.358936372753689e-10 ] [ -2.193176335513482e-09 3.470109831070174e-09 -1.691326548445662e-10 ] [ -3.065675747920486e-09 3.798850681323168e-09 8.160994303192726e-10 ] [ 2.666731843442525e-09 -3.879632907862437e-09 1.838940529136637e-09 ] [ -2.268670738289898e-09 2.065232117140461e-09 -1.305205985093247e-09 ] [ 4.29496483625893e-09 6.904956715731989e-10 -1.441924684020032e-09 ] [ 8.726381609035085e-10 -1.638052252753201e-09 7.971170017773042e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.565545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.294963566447553e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0015836 1.7606977 3.1418516 ] [ 3.2504552 4.06068 1.1228187 ] [ 1.8357915 4.0921102 2.9650223 ] [ 3.4169731 1.7141242 1.3005507 ] [ 5.0871068 1.9610442 2.8960426 ] [ 4.9219344 4.2925012 2.7191908 ] [ 3.5694423 3.1444955 4.3804064 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0015836e-10 1.7606977e-10 3.1418516e-10 ] [ 3.2504552e-10 4.06068e-10 1.1228187e-10 ] [ 1.8357915e-10 4.0921102e-10 2.9650223e-10 ] [ 3.4169731e-10 1.7141242e-10 1.3005507e-10 ] [ 5.0871068e-10 1.9610442e-10 2.8960426e-10 ] [ 4.9219344e-10 4.292501200000001e-10 2.7191908e-10 ] [ 3.5694423e-10 3.1444955e-10 4.3804064e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.43e-05 -2.26e-05 2.14e-05 ] [ 3.7e-06 2.22e-05 -3.35e-05 ] [ 3.3e-06 1.4e-05 1.5e-06 ] [ 4.03e-05 -8e-07 -1.2e-05 ] [ -1.12e-05 2.64e-05 9e-06 ] [ -1.05e-05 -1.4e-05 -2.18e-05 ] [ 2.88e-05 -2.51e-05 3.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.69981912262e-14 -3.62091919284e-14 3.42865799676e-14 ] [ 5.9280535458e-15 3.55683212748e-14 -5.367291723899999e-14 ] [ 5.2871828922e-15 2.243047287599999e-14 2.403264951e-15 ] [ 6.456771835019998e-14 -1.2817413072e-15 -1.9226119608e-14 ] [ -1.79443783008e-14 4.22974631376e-14 1.4419589706e-14 ] [ -1.6822854657e-14 -2.243047287599999e-14 -3.492745062119999e-14 ] [ 4.614268705919999e-14 -4.02146335134e-14 5.655683518019999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }