{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7683229 -1.6864914 -6.8637667 ] [ -10.1441449 -4.1283654 8.3984609 ] [ -3.4298862 8.6276543 -2.549643 ] [ 1.5130567 -7.648298 -4.3001061 ] [ 10.1732935 4.1143339 -7.552929 ] [ 5.1634199 -4.5407707 4.7519242 ] [ 2.4925838 5.2619373 8.1160596 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.241872091605257e-09 -2.702057092260261e-09 -1.099696653736557e-08 ] [ -1.625271179678756e-08 -6.61437052599964e-09 1.345581770468293e-08 ] [ -5.495283481644554e-09 1.382302601180459e-08 -4.084978405986375e-09 ] [ 2.4241840706848e-09 -1.22539242445114e-08 -6.889529460379467e-09 ] [ 1.629941300223661e-08 6.591889584744885e-09 -1.210112626236232e-08 ] [ 8.272710647153473e-09 -7.275116655953651e-09 7.613421857053744e-09 ] [ 3.993559489744823e-09 8.430552922175476e-09 1.30033609441394e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.72687369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.164580032392627e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6569759 1.7630116 1.9175895 ] [ 1.1686647 1.8410084 4.2968837 ] [ 3.0019829 3.962131 2.3107642 ] [ 3.913669 0.7448268 1.8311096 ] [ 4.7946378 2.8817455 1.0759634 ] [ 4.5941464 1.1222386 4.1012834 ] [ 3.2560082 3.0508543 4.6002782 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6569759e-10 1.7630116e-10 1.9175895e-10 ] [ 1.1686647e-10 1.8410084e-10 4.296883700000001e-10 ] [ 3.0019829e-10 3.962131e-10 2.3107642e-10 ] [ 3.913669e-10 7.448268000000001e-11 1.8311096e-10 ] [ 4.7946378e-10 2.8817455e-10 1.0759634e-10 ] [ 4.5941464e-10 1.1222386e-10 4.1012834e-10 ] [ 3.2560082e-10 3.0508543e-10 4.6002782e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.32e-05 6.7e-06 1.66e-05 ] [ 1.73e-05 2.29e-05 -2.1e-05 ] [ -1.68e-05 -3.39e-05 -9.2e-06 ] [ 6e-07 2.83e-05 5.7e-06 ] [ -1.38e-05 1.2e-06 1.31e-05 ] [ -2.7e-06 -1.33e-05 1.8e-06 ] [ 2.1e-06 -1.19e-05 -6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.114873139456e-14 1.073458335936e-14 2.659613190528e-14 ] [ 2.771765553984e-14 3.668984461632e-14 -3.36457090368e-14 ] [ -2.691656722944e-14 -5.431378744512e-14 -1.474002491136e-14 ] [ 9.6130597248e-16 4.534159836864e-14 9.13240673856e-15 ] [ -2.211003736704e-14 1.92261194496e-15 2.098851373248e-14 ] [ -4.32587687616e-15 -2.130894905664e-14 2.88391791744e-15 ] [ 3.36457090368e-15 -1.906590178752e-14 -1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }