{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2565473 -3.0758021 1.704105 ] [ -2.7753143 0.8777988 -7.6142873 ] [ -9.0824888 0.1329286 3.9359959 ] [ 1.090079 7.6301411 2.8541844 ] [ 1.0359204 -8.9332686 -6.9043566 ] [ 3.9468219 4.7316358 -5.0912495 ] [ 7.041529 -1.3634336 11.1156081 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.013210706989364e-09 -4.927978214827544e-09 2.730277190388384e-09 ] [ -4.446543686831918e-09 1.406388715126295e-09 -1.219943309611436e-08 ] [ -1.455175121403785e-08 2.129750951556749e-10 6.306160610544656e-09 ] [ 1.746499088625043e-09 1.22248336838252e-08 4.572907517132075e-09 ] [ 1.659727445889784e-09 -1.431267409824675e-08 -1.106199872618618e-08 ] [ 6.323505774641436e-09 7.580916256900305e-09 -8.157080919559689e-09 ] [ 1.12817731384852e-08 -2.184461437933179e-09 1.780916742379511e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.617183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.181713224375521e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2082902 1.9175535 3.6527406 ] [ 1.9741345 3.7005905 0.7832431 ] [ 1.0355431 3.9474549 3.0115028 ] [ 3.0210773 5.2048573 3.6308712 ] [ 3.5668579 1.9340419 1.5538403 ] [ 4.2089594 4.530857 1.5365839 ] [ 4.3939805 3.1223419 3.8031801 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2082902e-10 1.9175535e-10 3.6527406e-10 ] [ 1.9741345e-10 3.7005905e-10 7.832431e-11 ] [ 1.0355431e-10 3.9474549e-10 3.0115028e-10 ] [ 3.0210773e-10 5.204857299999999e-10 3.6308712e-10 ] [ 3.5668579e-10 1.9340419e-10 1.5538403e-10 ] [ 4.208959400000001e-10 4.530857e-10 1.5365839e-10 ] [ 4.3939805e-10 3.1223419e-10 3.8031801e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.6e-06 -2.83e-05 -1.85e-05 ] [ -8.4e-06 1.2e-06 -6e-06 ] [ -3.6e-06 1.08e-05 1.46e-05 ] [ 2.22e-05 1.19e-05 -6.8e-06 ] [ 2.03e-05 3.22e-05 1.17e-05 ] [ -1.27e-05 -3.48e-05 -4.4e-06 ] [ -2.62e-05 7e-06 9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.377871893888e-14 -4.534159836864e-14 -2.96402674848e-14 ] [ -1.345828361472e-14 1.92261194496e-15 -9.6130597248e-15 ] [ -5.76783583488e-15 1.730350750464e-14 2.339177866368e-14 ] [ 3.556832098176e-14 1.906590178752e-14 -1.089480102144e-14 ] [ 3.252418540224e-14 5.159008718975999e-14 1.874546646336e-14 ] [ -2.034764308416e-14 -5.575574640383999e-14 -7.04957713152e-15 ] [ -4.197702746496e-14 1.12152363456e-14 1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }