{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.137834 0.6178187 0.8180482 ] [ 0.8147489 0.2195668 2.521416 ] [ 0.6602072 2.742467 0.5700192 ] [ 2.747217 2.135327 0.0253318 ] [ 2.249122 2.278269 1.668886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137834e-10 6.178187000000001e-11 8.180482000000001e-11 ] [ 8.147489e-11 2.195668e-11 2.521416e-10 ] [ 6.602072e-11 2.742467e-10 5.700191999999999e-11 ] [ 2.747217e-10 2.135327e-10 2.53318e-12 ] [ 2.249122e-10 2.278269e-10 1.668886e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.0255771 -35.5902433 -2.0211652 ] [ 1.507387 1.6997048 3.4298001 ] [ -37.6449192 23.6077328 -4.3425392 ] [ 39.0604037 5.0321159 -22.6592291 ] [ 14.1027057 5.2506899 25.5931334 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.727798158524786e-08 -5.702185574384384e-08 -3.238263630214556e-09 ] [ 2.415100209897849e-09 2.72322729282154e-09 5.495145534237502e-09 ] [ -6.031380943414503e-08 3.782375756225332e-08 -6.957514781147536e-09 ] [ 6.258166560714982e-08 8.062338448135951e-09 -3.630408710937103e-08 ] [ 2.25950253625629e-08 8.412532600850691e-09 4.100471998649561e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.4500469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.353846758784352e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9351956 0.5571736 0.5004355 ] [ 1.1888744 0.1188562 2.8570877 ] [ 0.5615628 3.0470528 0.2607105 ] [ 2.8974343 1.9974662 -0.1863978 ] [ 2.0260619 2.2728997 2.1718653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.351956000000001e-11 5.571736e-11 5.004355e-11 ] [ 1.1888744e-10 1.188562e-11 2.8570877e-10 ] [ 5.615628000000001e-11 3.0470528e-10 2.607105e-11 ] [ 2.8974343e-10 1.9974662e-10 -1.863978e-11 ] [ 2.0260619e-10 2.2728997e-10 2.1718653e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001328 -0.0001161 -0.0001275 ] [ 8.28e-05 -2.15e-05 1.96e-05 ] [ -9.48e-05 9.67e-05 -6.9e-06 ] [ 0.0001447 -7.68e-05 -1.63e-05 ] [ 0.0 0.0001177 0.0001311 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.1276905524224e-13 -1.8601270567488e-13 -2.04277519152e-13 ] [ 1.3266022420224e-13 -3.44467973472e-14 3.140266176767999e-14 ] [ -1.5188634365184e-13 1.5493047923136e-13 -1.105501868352e-14 ] [ 2.3183495702976e-13 -1.2304716447744e-13 -2.611547891904e-14 ] [ 0.0 1.8857618826816e-13 2.1004535498688e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.808941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.693089229060658e-18 } }