{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4604006 -2.259203 -3.0760709 ] [ -1.8323058 1.5242052 0.5855283 ] [ 7.3634268 3.4766241 -0.0236118 ] [ -3.0201451 -3.7787074 1.4686602 ] [ 2.5598272 -2.3266237 -0.3257934 ] [ -1.0594021 4.3543887 1.8641707 ] [ -0.5510003 -0.9906841 -0.4928831 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.54417298559958e-09 -3.619642258062702e-09 -4.92840892050735e-09 ] [ -2.935677539102677e-09 2.442045956861296e-09 9.381197608057422e-10 ] [ 1.179751036512939e-08 5.570165898221279e-09 -3.783027424668119e-11 ] [ -4.838805910509593e-09 -6.054156703002891e-09 2.353053055725767e-09 ] [ 4.101295326917645e-09 -3.727662128250625e-09 -5.219785729914156e-10 ] [ -1.697349290630531e-09 6.976499830493636e-09 2.986730737327424e-09 ] [ -8.827998059869901e-10 -1.587250916695319e-09 -7.896857861134853e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.471494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.99815362778712e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3554029 1.9435078 0.9220746 ] [ 2.4242153 3.5663684 2.6316477 ] [ 5.6767322 2.6688336 1.3425034 ] [ 3.0794499 1.0869394 3.2913716 ] [ 5.5921078 1.3803732 3.4458665 ] [ 4.1565688 3.1302155 4.5863523 ] [ 4.7461071 4.5816662 2.5940767 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3554029e-10 1.9435078e-10 9.220746e-11 ] [ 2.4242153e-10 3.5663684e-10 2.6316477e-10 ] [ 5.6767322e-10 2.6688336e-10 1.3425034e-10 ] [ 3.0794499e-10 1.0869394e-10 3.2913716e-10 ] [ 5.5921078e-10 1.3803732e-10 3.4458665e-10 ] [ 4.1565688e-10 3.1302155e-10 4.5863523e-10 ] [ 4.746107099999999e-10 4.5816662e-10 2.5940767e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.9e-06 1.8e-06 8e-07 ] [ -2.9e-06 1.2e-06 3.2e-06 ] [ 1.1e-06 -3.2e-06 -1.2e-06 ] [ -4.7e-06 -3.4e-06 -4.3e-06 ] [ 7.5e-06 5e-06 2.8e-06 ] [ -1.2e-06 2.9e-06 -3.9e-06 ] [ 2.1e-06 -4.3e-06 2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.0441356046e-15 2.8839179412e-15 1.2817413072e-15 ] [ -4.6463122386e-15 1.9226119608e-15 5.1269652288e-15 ] [ 1.7623942974e-15 -5.1269652288e-15 -1.9226119608e-15 ] [ -7.530230179799999e-15 -5.4474005556e-15 -6.8893595262e-15 ] [ 1.2016324755e-14 8.010883169999999e-15 4.486094575199999e-15 ] [ -1.9226119608e-15 4.6463122386e-15 -6.248488872599999e-15 ] [ 3.364570931399999e-15 -6.8893595262e-15 4.3258769118e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }