{ "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" [ [ 2.360944 2.643853 2.165766 ] [ 2.694587 4.80447 3.102481 ] [ 4.665525 1.923814 2.374826 ] [ 4.545146 3.928705 1.722535 ] [ 3.943017 3.203445 4.218269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.360944e-10 2.643853e-10 2.165766e-10 ] [ 2.694587e-10 4.80447e-10 3.102481e-10 ] [ 4.665525e-10 1.923814e-10 2.374826e-10 ] [ 4.545146e-10 3.928705e-10 1.722535e-10 ] [ 3.943017e-10 3.203445e-10 4.218269e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6173604 0.4626822 0.7920714 ] [ -0.2413329 1.0235908 -0.5704854 ] [ 0.5724097 -4.6281663 0.7961014 ] [ -1.7704648 3.3976162 0.4629538 ] [ -0.1779724 -0.2557229 -1.4806412 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.591297020287736e-09 7.412986037003097e-10 1.269038279084325e-09 ] [ -3.866579302098643e-10 1.639973249025969e-09 -9.140183703877364e-10 ] [ 9.171014388591418e-10 -7.415139843034439e-09 1.275495050866149e-09 ] [ -2.836597310509348e-09 5.443581242091337e-09 7.417337548705191e-10 ] [ -2.851432184276659e-10 -4.097132517831763e-10 -2.372248714433257e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.989371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.721997301829752e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4790193 2.6615531 2.22438 ] [ 2.599933 4.9237124 3.0702788 ] [ 4.6837565 1.678004 2.3632725 ] [ 4.4763895 4.0286817 1.8352266 ] [ 3.9701208 3.2123357 4.0907191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4790193e-10 2.6615531e-10 2.22438e-10 ] [ 2.599933e-10 4.923712400000001e-10 3.0702788e-10 ] [ 4.6837565e-10 1.678004e-10 2.3632725e-10 ] [ 4.4763895e-10 4.0286817e-10 1.8352266e-10 ] [ 3.9701208e-10 3.2123357e-10 4.0907191e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.1e-06 2.4e-06 -2.8e-06 ] [ -7.6e-06 -1.9e-06 -2.1e-06 ] [ 3.7e-06 -1.93e-05 -3.5e-06 ] [ 6.4e-06 1.25e-05 -1e-06 ] [ 6.7e-06 6.3e-06 9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.457980724928e-14 3.84522388992e-15 -4.48609453824e-15 ] [ -1.217654231808e-14 -3.04413557952e-15 -3.36457090368e-15 ] [ 5.928053496960001e-15 -3.092200878144e-14 -5.6076181728e-15 ] [ 1.025393037312e-14 2.002720776e-14 -1.6021766208e-15 ] [ 1.073458335936e-14 1.009371271104e-14 1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }