{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3784698 -2.7339481 -1.6658395 ] [ -0.6200019 -3.9162356 5.1383739 ] [ -1.9071409 4.5207379 -3.8692515 ] [ 0.5063099 1.6520253 1.1554788 ] [ 0.1503607 -0.0894622 -1.4061227 ] [ -1.1230182 -2.1644689 1.4984745 ] [ 2.6150206 2.7313516 -0.8511135 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.063754652388519e-10 -4.38026772830058e-09 -2.668969100905162e-09 ] [ -9.933525490315794e-10 -6.27450111986466e-09 8.232582531508918e-09 ] [ -3.055576562551471e-09 7.243020572144488e-09 -6.199224293295331e-09 ] [ 8.11197884659586e-10 2.646836312630106e-09 1.851281119190039e-09 ] [ 2.409043982271226e-10 -1.433342452853338e-10 -2.252856915916172e-09 ] [ -1.799273504772899e-09 -3.467861468028693e-09 2.40082081076497e-09 ] [ 4.189724868230388e-09 4.376107676704673e-09 -1.363634151347261e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.015891 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.764940301748113e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.862487 2.0260115 1.9483681 ] [ 2.5942115 2.3952829 4.2933454 ] [ 2.1477262 4.2755983 2.729282 ] [ 5.0525179 2.6386644 2.1487959 ] [ 4.7944409 2.9939139 4.4045559 ] [ 4.3523181 4.7621237 1.6879187 ] [ 4.0840545 5.1314273 4.0328901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.862487e-10 2.0260115e-10 1.9483681e-10 ] [ 2.5942115e-10 2.3952829e-10 4.2933454e-10 ] [ 2.1477262e-10 4.2755983e-10 2.729282e-10 ] [ 5.0525179e-10 2.6386644e-10 2.1487959e-10 ] [ 4.7944409e-10 2.9939139e-10 4.4045559e-10 ] [ 4.3523181e-10 4.762123700000001e-10 1.6879187e-10 ] [ 4.0840545e-10 5.1314273e-10 4.0328901e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 -2.8e-06 1.91e-05 ] [ -1.46e-05 -1.19e-05 2.01e-05 ] [ -9.14e-05 3.63e-05 -4.18e-05 ] [ 5e-05 -7.9e-06 -3.35e-05 ] [ 2.06e-05 3.1e-06 -1.39e-05 ] [ 1.57e-05 -2.51e-05 1.19e-05 ] [ 1.81e-05 8.3e-06 3.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-15 -4.48609453824e-15 3.060157345728e-14 ] [ -2.339177866368e-14 -1.906590178752e-14 3.220375007808e-14 ] [ -1.4643894314112e-13 5.815901133504e-14 -6.697098274944e-14 ] [ 8.010883104e-14 -1.265719530432e-14 -5.36729167968e-14 ] [ 3.300483838848e-14 4.96674752448e-15 -2.227025502912e-14 ] [ 2.515417294656e-14 -4.021463318208e-14 1.906590178752e-14 ] [ 2.899939683648e-14 1.329806595264e-14 6.104292925248e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }