{ "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" [ [ 1.713643 2.381995 2.341744 ] [ 1.446412 4.331189 1.115178 ] [ 2.556484 4.191275 3.378185 ] [ 3.693858 2.577115 3.453442 ] [ 3.860603 3.859948 1.679861 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.713643e-10 2.381995e-10 2.341744e-10 ] [ 1.446412e-10 4.331189e-10 1.115178e-10 ] [ 2.556484e-10 4.191275e-10 3.378185e-10 ] [ 3.693858e-10 2.577115e-10 3.453442e-10 ] [ 3.860603e-10 3.859948e-10 1.679861e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1833285 -2.362021 -0.8940508 ] [ 0.4070381 0.3596934 -0.1355818 ] [ -4.0986312 6.3354909 2.5436017 ] [ 4.0453788 -5.5808303 2.3425261 ] [ 1.8295428 1.2476669 -3.8564953 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.498077878226333e-09 -3.784374824038637e-09 -1.432427289567537e-09 ] [ 6.521469275948525e-10 5.762923561360627e-10 -2.172259901659814e-10 ] [ -6.566731085921448e-09 1.015057540127115e-08 4.075299176367135e-09 ] [ 6.481411335639958e-09 -8.941475831312249e-09 3.753140551033804e-09 ] [ 2.93125070091297e-09 1.998982737726012e-09 -6.178786607885083e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.166075 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.269655417349936e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4146035 2.2891147 2.6126534 ] [ 1.7176998 4.1020799 1.0912495 ] [ 2.3690906 4.3987267 3.44561 ] [ 3.7332549 2.369318 3.1701508 ] [ 4.0363513 4.1822827 1.6487463 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4146035e-10 2.2891147e-10 2.6126534e-10 ] [ 1.7176998e-10 4.1020799e-10 1.0912495e-10 ] [ 2.3690906e-10 4.3987267e-10 3.44561e-10 ] [ 3.7332549e-10 2.369318e-10 3.1701508e-10 ] [ 4.0363513e-10 4.1822827e-10 1.6487463e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-07 1.1e-06 5e-07 ] [ -8e-07 5e-07 -1.2e-06 ] [ -3e-07 0.0 -5e-07 ] [ 1.1e-06 -1.2e-06 0.0 ] [ -8e-07 -4e-07 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-15 1.76239428288e-15 8.010883104e-16 ] [ -1.28174129664e-15 8.010883104e-16 -1.92261194496e-15 ] [ -4.8065298624e-16 0.0 -8.010883104e-16 ] [ 1.76239428288e-15 -1.92261194496e-15 0.0 ] [ -1.28174129664e-15 -6.408706483200001e-16 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }