{ "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" [ [ 2.146488 0.2959799 2.352543 ] [ 2.393537 2.53814 1.109639 ] [ 1.99319 1.640865 4.12466 ] [ 3.097066 3.51077 3.500726 ] [ 3.970578 1.750203 2.795194 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146488e-10 2.959799e-11 2.352543e-10 ] [ 2.393537e-10 2.53814e-10 1.109639e-10 ] [ 1.99319e-10 1.640865e-10 4.12466e-10 ] [ 3.097066e-10 3.51077e-10 3.500726e-10 ] [ 3.970578e-10 1.750203e-10 2.795194e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7528836 -5.7459472 -5.4311629 ] [ -0.8630476 1.1363429 -4.8518041 ] [ -7.2896955 -2.1866222 11.8256696 ] [ -3.7369664 19.3768927 4.8903832 ] [ 13.642593 -12.5806662 -6.4330859 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.808429122903739e-09 -9.206022268191222e-09 -8.70168222213633e-09 ] [ -1.38275468735755e-09 1.820622027592072e-09 -7.773447097721585e-09 ] [ -1.167937970285097e-08 -3.503354967362262e-09 1.894681135842529e-08 ] [ -5.987280198795141e-09 3.104520446769018e-08 7.83525762979309e-09 ] [ 2.185784355168974e-08 -2.015644925972878e-08 -1.030693982857813e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7142563 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.155247849119111e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.415238 0.4840175 2.1655358 ] [ 1.9811551 2.6923429 1.1605624 ] [ 1.4529406 1.6888338 4.4840158 ] [ 3.1791017 3.4417441 3.1800711 ] [ 4.5724235 1.4290196 2.8925769 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.415238e-10 4.840175e-11 2.1655358e-10 ] [ 1.9811551e-10 2.6923429e-10 1.1605624e-10 ] [ 1.4529406e-10 1.6888338e-10 4.4840158e-10 ] [ 3.1791017e-10 3.4417441e-10 3.1800711e-10 ] [ 4.5724235e-10 1.4290196e-10 2.8925769e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-06 3.58e-05 -4.3e-06 ] [ 6.2e-06 -2.49e-05 1.19e-05 ] [ -3.9e-06 -9.9e-06 2.8e-06 ] [ -6.3e-06 1.94e-05 -6.5e-06 ] [ 5e-07 -2.05e-05 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.44740051072e-15 5.735792302464001e-14 -6.889359469440001e-15 ] [ 9.93349504896e-15 -3.989419785791999e-14 1.906590178752e-14 ] [ -6.24848882112e-15 -1.586154854592e-14 4.48609453824e-15 ] [ -1.009371271104e-14 3.108222644352e-14 -1.04141480352e-14 ] [ 8.010883104e-16 -3.28446207264e-14 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.892431 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.905377491267717e-18 } }