{ "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" [ [ 0.4264597 0.3568663 1.24612 ] [ 0.1993437 1.82063 0.3429825 ] [ 0.3583889 1.799016 2.47518 ] [ 1.901803 0.1168384 0.4528213 ] [ 1.669099 0.8043485 2.197104 ] [ 2.479285 2.402454 1.01494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.264597e-11 3.568663e-11 1.24612e-10 ] [ 1.993437e-11 1.82063e-10 3.429825e-11 ] [ 3.583889e-11 1.799016e-10 2.47518e-10 ] [ 1.901803e-10 1.168384e-11 4.528213e-11 ] [ 1.669099e-10 8.043485000000001e-11 2.197104e-10 ] [ 2.479285e-10 2.402454e-10 1.01494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -61.907695 -49.0612097 -4.6353334 ] [ -6.9256492 24.7103443 -21.4807558 ] [ -27.5183741 33.0797085 21.6076717 ] [ 30.4655876 -12.1656987 -30.2394437 ] [ 56.2041715 -8.1180589 37.8304954 ] [ 9.6819592 11.5549146 -3.0826342 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.918706157661705e-08 -7.860472316950618e-08 -7.426622803093376e-09 ] [ -1.109611323210222e-08 3.959033592937854e-08 -3.4415964739874e-08 ] [ -4.408929562544824e-08 5.299953558157904e-08 3.461930642766179e-08 ] [ 4.881125219165438e-08 -1.949159803283695e-08 -4.844892972213785e-08 ] [ 9.004900956873368e-08 -1.300656417585737e-08 6.061113528316194e-08 ] [ 1.551220867377947e-08 1.851301402746059e-08 -4.938924445718512e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 25.47778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.081990346588582e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.019695 -0.1561141 1.3981194 ] [ 0.3889632 2.0990291 0.2898375 ] [ -0.1604819 1.936116 2.6656585 ] [ 2.0335603 0.167872 0.0732219 ] [ 2.0270483 0.8555185 2.5243637 ] [ 2.7649845 2.3977316 0.7779469 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.9695e-12 -1.561141e-11 1.3981194e-10 ] [ 3.889632e-11 2.0990291e-10 2.898375e-11 ] [ -1.604819e-11 1.936116e-10 2.6656585e-10 ] [ 2.0335603e-10 1.67872e-11 7.322190000000001e-12 ] [ 2.0270483e-10 8.555185e-11 2.5243637e-10 ] [ 2.764984500000001e-10 2.3977316e-10 7.779469e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.08e-05 -5.1e-06 7.5e-06 ] [ 7.2e-06 2e-05 3e-07 ] [ 2.19e-05 -8.7e-06 -3.49e-05 ] [ -1.85e-05 6e-06 2.18e-05 ] [ 5e-06 -8.4e-06 -2.2e-06 ] [ -2.63e-05 -3.9e-06 7.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.730350750464e-14 -8.17110076608e-15 1.2016324656e-14 ] [ 1.153567166976e-14 3.2043532416e-14 4.8065298624e-16 ] [ 3.508766799552e-14 -1.393893660096e-14 -5.591596406592e-14 ] [ -2.96402674848e-14 9.6130597248e-15 3.492745033344e-14 ] [ 8.010883104e-15 -1.345828361472e-14 -3.52478856576e-15 ] [ -4.213724512704e-14 -6.24848882112e-15 1.217654231808e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.587451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.817820281166558e-18 } }