{ "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" [ [ 1.02058 1.85993 1.630827 ] [ 2.141944 2.227969 3.994537 ] [ 1.553014 3.937737 2.507181 ] [ 3.345417 1.636187 2.240659 ] [ 3.907909 3.941805 1.929299 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.02058e-10 1.85993e-10 1.630827e-10 ] [ 2.141944e-10 2.227969e-10 3.994537e-10 ] [ 1.553014e-10 3.937737e-10 2.507181e-10 ] [ 3.345417e-10 1.636187e-10 2.240659e-10 ] [ 3.907909e-10 3.941805e-10 1.929299e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6520033 -2.9420014 -3.3951547 ] [ -2.8776967 0.1399486 8.5249599 ] [ -2.6319526 7.4561518 0.8182845 ] [ 7.1552527 -5.8268204 -4.8607764 ] [ 1.0063999 1.1727214 -1.0873133 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.248977685544449e-09 -4.713605861440869e-09 -5.439637484339238e-09 ] [ -4.610578374493311e-09 2.242223750336909e-10 1.365849144503751e-08 ] [ -4.216852922773775e-09 1.194607209509584e-08 1.311036295063018e-09 ] [ 1.146397859185608e-08 -9.335595418480504e-09 -7.787822307016389e-09 ] [ 1.612430390955458e-09 1.878906809791845e-09 -1.742067948744896e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1006635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.45808702934679e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5851971 1.4745573 1.5920685 ] [ 1.8070844 2.0936114 3.6735384 ] [ 1.7736261 4.4007897 2.8555203 ] [ 3.8744217 1.6387987 2.4436668 ] [ 3.9285347 3.9958709 1.737709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.851971000000001e-11 1.4745573e-10 1.5920685e-10 ] [ 1.8070844e-10 2.0936114e-10 3.6735384e-10 ] [ 1.7736261e-10 4.4007897e-10 2.8555203e-10 ] [ 3.8744217e-10 1.6387987e-10 2.4436668e-10 ] [ 3.9285347e-10 3.9958709e-10 1.737709e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.93e-05 4.2e-06 3.1e-06 ] [ 1.67e-05 5.2e-06 -9.2e-06 ] [ -7.1e-06 -1.58e-05 -9.2e-06 ] [ 2.4e-06 9.2e-06 3.3e-06 ] [ 7.3e-06 -2.8e-06 1.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.092200878144e-14 6.72914180736e-15 4.96674752448e-15 ] [ 2.675634956736e-14 8.33131842816e-15 -1.474002491136e-14 ] [ -1.137545400768e-14 -2.531439060864e-14 -1.474002491136e-14 ] [ 3.84522388992e-15 1.474002491136e-14 5.28718284864e-15 ] [ 1.169588933184e-14 -4.48609453824e-15 1.92261194496e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.027456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.927010881090069e-18 } }