{ "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" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3252396 -1.698553 -3.1074619 ] [ 0.0930933 -0.3652875 2.5867855 ] [ 0.0365391 1.347924 -0.451123 ] [ -0.7220564 0.67764 0.1850963 ] [ 0.9176637 0.0382765 0.7867031 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.210912832783437e-10 -2.721381905789702e-09 -4.978702806206748e-09 ] [ 1.491519088131206e-10 -5.8525509237048e-10 4.144487251124438e-09 ] [ 5.854209176507328e-11 2.159612319415219e-09 -7.227787237051584e-10 ] [ -1.156861882979013e-09 1.085698965318912e-09 2.96556964456583e-10 ] [ 1.470259325896825e-09 6.13257134260512e-11 1.260437314330884e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.369034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821520047588031e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0112772 1.7481339 2.2778722 ] [ 1.7946833 2.102848 4.6057076 ] [ 2.4783235 4.0628094 2.1561192 ] [ 4.3255878 1.5001327 2.7008919 ] [ 3.7196762 3.3541069 4.0396332 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0112772e-10 1.7481339e-10 2.2778722e-10 ] [ 1.7946833e-10 2.102848e-10 4.6057076e-10 ] [ 2.4783235e-10 4.0628094e-10 2.1561192e-10 ] [ 4.3255878e-10 1.5001327e-10 2.7008919e-10 ] [ 3.7196762e-10 3.3541069e-10 4.0396332e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0395257 -0.0436296 -0.0529254 ] [ 0.0368324 0.0046562 -0.0397018 ] [ 0.0046831 -0.0308693 0.0239097 ] [ -0.0538408 0.0274552 0.0273633 ] [ 0.051851 0.0423876 0.0413543 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.332715246075456e-11 -6.990232509485567e-11 -8.479583852648832e-11 ] [ 5.901201016795393e-11 7.46005478176896e-12 -6.360929576367744e-11 ] [ 7.50315333286848e-12 -4.945807076046144e-11 3.830756235034176e-11 ] [ -8.626247100516864e-11 4.398807955938816e-11 4.384083952793664e-11 ] [ 8.30744599651008e-11 6.791242173182206e-11 6.625689262954943e-11 ] ] } "relaxed-potential-energy" { "source-value" -13.718232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.197903058911043e-18 } }