{ "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" [ [ 0.4711414 1.535718 0.6051258 ] [ 0.1383881 2.176586 2.72717 ] [ 2.449817 0.7251628 0.0780297 ] [ 1.858809 0.1214998 2.575793 ] [ 2.444403 2.05802 2.37174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.711414e-11 1.535718e-10 6.051258000000001e-11 ] [ 1.383881e-11 2.176586e-10 2.72717e-10 ] [ 2.449817e-10 7.251628e-11 7.80297e-12 ] [ 1.858809e-10 1.214998e-11 2.575793e-10 ] [ 2.444403e-10 2.05802e-10 2.37174e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3956221 -3.1914102 2.6069701 ] [ -5.0002271 1.2699643 3.4059364 ] [ 1.7322343 -0.0108903 0.2071146 ] [ -4.0274771 -0.473883 -3.7446072 ] [ 4.8998478 2.4062192 -2.4754138 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.838209752514011e-09 -5.113202851949266e-09 4.176826579756642e-09 ] [ -8.01124702431358e-09 2.034707127474166e-09 5.456911716970077e-09 ] [ 2.775345320073346e-09 -1.74481841972502e-11 3.318341726802564e-10 ] [ -6.45272970359008e-09 -7.592442698498219e-10 -5.999522159348164e-09 ] [ 7.850421655316305e-09 3.855188178522172e-09 -3.966050149841149e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.612622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.341200152987435e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4742745 1.5766005 0.6204165 ] [ 0.1605069 2.075729 3.0987477 ] [ 2.7845204 0.5710674 0.244397 ] [ 1.4917838 0.029118 2.3715637 ] [ 2.4514729 2.3644717 2.0227335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.742745e-11 1.5766005e-10 6.204165000000001e-11 ] [ 1.605069e-11 2.075729e-10 3.0987477e-10 ] [ 2.7845204e-10 5.710674e-11 2.44397e-11 ] [ 1.4917838e-10 2.9118e-12 2.3715637e-10 ] [ 2.4514729e-10 2.3644717e-10 2.0227335e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.13e-05 -3.9e-06 -0.0001489 ] [ -8.02e-05 3.79e-05 0.0001027 ] [ -1.31e-05 -2.07e-05 -2.11e-05 ] [ 4.03e-05 -8.21e-05 3.04e-05 ] [ 0.0001042 6.88e-05 3.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.21916613242e-14 -6.248488872599999e-15 -2.385641008025999e-13 ] [ -1.284945660468e-13 6.072249442859999e-14 1.645435403118e-13 ] [ -2.09885139054e-14 -3.316505632379999e-14 -3.38059269774e-14 ] [ 6.456771835019998e-14 -1.315387016514e-13 4.870616967359999e-14 ] [ 1.669468052628e-13 1.102297524192e-13 5.896010013119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.756113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.844842935926364e-18 } }