{ "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" [ [ 1.839954 1.796871 1.93364 ] [ 2.210383 3.445619 3.048606 ] [ 3.819674 1.353604 3.225037 ] [ 4.546382 3.666644 2.852587 ] [ 3.625014 3.17012 0.7912526 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.839954e-10 1.796871e-10 1.93364e-10 ] [ 2.210383e-10 3.445619e-10 3.048606e-10 ] [ 3.819674e-10 1.353604e-10 3.225037e-10 ] [ 4.546382e-10 3.666644e-10 2.852587000000001e-10 ] [ 3.625014e-10 3.17012e-10 7.912526e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9088091 -8.054823 -6.0899591 ] [ -0.6908066 8.0822949 5.7322774 ] [ 0.9362002 -1.2411596 1.2335583 ] [ 3.4351181 1.2003079 1.60093 ] [ -0.7717027 0.0133798 -2.4768065 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.66042593439029e-09 -1.290524909528212e-08 -9.757190091648207e-09 ] [ -1.106794184014337e-09 1.294926393119108e-08 9.18412083422021e-09 ] [ 1.499958072828284e-09 -1.98855689380148e-09 1.976378268653793e-09 ] [ 5.503665909506917e-09 1.923105255141544e-09 2.564972617537344e-09 ] [ -1.236404024148236e-09 2.143680275097984e-11 -3.968281468545475e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4664103 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.196250802396031e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0575535 1.8479466 1.9004679 ] [ 1.9784373 3.8323915 3.3373283 ] [ 3.9807582 1.1371894 3.2439543 ] [ 4.3590096 3.5251969 2.8399802 ] [ 3.6656484 3.0901337 0.5293918 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0575535e-10 1.8479466e-10 1.9004679e-10 ] [ 1.9784373e-10 3.8323915e-10 3.3373283e-10 ] [ 3.9807582e-10 1.1371894e-10 3.2439543e-10 ] [ 4.359009600000001e-10 3.5251969e-10 2.8399802e-10 ] [ 3.6656484e-10 3.0901337e-10 5.293918e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 -0.0 5e-07 ] [ -0.0 0.0 -1.4e-06 ] [ 9e-07 7e-07 -1e-06 ] [ 1e-07 -8e-07 -2e-07 ] [ 1e-07 1e-07 2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 0.0 8.010883104e-16 ] [ 0.0 0.0 -2.24304726912e-15 ] [ 1.44195895872e-15 1.12152363456e-15 -1.6021766208e-15 ] [ 1.6021766208e-16 -1.28174129664e-15 -3.2043532416e-16 ] [ 1.6021766208e-16 1.6021766208e-16 3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.950872 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.754523109577334e-18 } }