{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7132649 -13.1931279 3.2564898 ] [ -7.162484 10.425132 -2.5928446 ] [ 1.1068134 0.396818 2.2474823 ] [ -0.2070906 1.0561852 -0.7670343 ] [ 8.6719925 0.7630683 -0.7488553 ] [ -1.6959664 0.5519245 -1.3952379 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.14277634721725e-09 -2.11377210766042e-08 5.217471823433668e-09 ] [ -1.147556441165407e-08 1.670290275915395e-08 -4.154194999487527e-09 ] [ 1.773310553068159e-09 6.357725223126145e-10 3.600863596721812e-09 ] [ -3.317957177074445e-10 1.692195234674972e-09 -1.228924422811693e-09 ] [ 1.389406363925295e-08 1.222570190333601e-09 -1.19979845402217e-09 ] [ -2.717237715742341e-09 8.842805303467298e-10 -2.235417543834088e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8714656 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.407124914151443e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6564211 0.6520068 0.5409085 ] [ 0.0082065 2.9915722 0.8216266 ] [ 0.4263241 2.8388215 3.0602703 ] [ 1.0745318 0.4992457 2.7795556 ] [ 2.3358233 2.4169309 0.3477173 ] [ 2.7539426 2.2641403 2.58636 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.564211e-11 6.520068e-11 5.409085e-11 ] [ 8.2065e-13 2.9915722e-10 8.216266e-11 ] [ 4.263241e-11 2.8388215e-10 3.0602703e-10 ] [ 1.0745318e-10 4.992457e-11 2.7795556e-10 ] [ 2.3358233e-10 2.4169309e-10 3.477173e-11 ] [ 2.7539426e-10 2.2641403e-10 2.58636e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.58e-05 3e-07 2.4e-06 ] [ -2e-06 3.11e-05 -1.26e-05 ] [ 2.54e-05 -1.02e-05 1.61e-05 ] [ 8.4e-06 -3e-06 -3e-06 ] [ -1.59e-05 -2.74e-05 -6.9e-06 ] [ -4.16e-05 9.2e-06 4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.133615681664e-14 4.8065298624e-16 3.84522388992e-15 ] [ -3.2043532416e-15 4.982769290688e-14 -2.018742542208e-14 ] [ 4.069528616832e-14 -1.634220153216e-14 2.579504359488e-14 ] [ 1.345828361472e-14 -4.8065298624e-15 -4.8065298624e-15 ] [ -2.547460827072e-14 -4.389963940992e-14 -1.105501868352e-14 ] [ -6.665054742528e-14 1.474002491136e-14 6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }