{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7607974 1.6686324 -7.808408 ] [ -3.6610435 -2.3564423 -0.3904683 ] [ 1.5250364 -0.7247408 3.9997227 ] [ -1.2690459 2.2264884 1.5688717 ] [ 5.9468674 -2.7669572 -3.201048 ] [ 0.5239637 -6.0162815 8.2052504 ] [ -0.3049806 7.969301 -2.3739205 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.423285085487951e-09 2.673443842015342e-09 -1.251044884633867e-08 ] [ -5.865638351757578e-09 -3.775436792429217e-09 -6.255991865777021e-10 ] [ 2.443377686079478e-09 -1.161162775466467e-09 6.408262252419391e-09 ] [ -2.033235688453501e-09 3.567227690352045e-09 2.513609579483858e-09 ] [ 9.52793199377633e-09 -4.433154173118064e-09 -5.128644309912432e-09 ] [ 8.394823972041857e-10 -9.63914564286647e-09 1.314626046699915e-08 ] [ -4.886327911433003e-10 1.276822785151283e-08 -3.803439956073597e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.427418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.830874210655101e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6036407 2.8214176 0.9127935 ] [ 1.2702444 2.029753 2.8274386 ] [ 3.5620836 3.4841428 5.0886862 ] [ 1.503029 4.2324138 3.9066157 ] [ 4.701936 2.0228366 1.988103 ] [ 3.402696 1.3198928 3.9459379 ] [ 3.4301833 4.7577324 2.3357851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6036407e-10 2.821417600000001e-10 9.127935000000001e-11 ] [ 1.2702444e-10 2.029753e-10 2.8274386e-10 ] [ 3.5620836e-10 3.4841428e-10 5.0886862e-10 ] [ 1.503029e-10 4.2324138e-10 3.9066157e-10 ] [ 4.701936e-10 2.0228366e-10 1.988103e-10 ] [ 3.402696e-10 1.3198928e-10 3.9459379e-10 ] [ 3.4301833e-10 4.757732400000001e-10 2.3357851e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.76e-05 2.7e-06 -4.68e-05 ] [ 1.65e-05 -1.99e-05 -6.7e-06 ] [ -2.29e-05 2.9e-06 -5.9e-06 ] [ 4.63e-05 8e-06 -3.4e-06 ] [ 6.7e-06 3.54e-05 6.01e-05 ] [ 5.9e-06 -2.29e-05 -1.1e-06 ] [ 2.51e-05 -6.1e-06 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.243289067984e-13 4.3258769118e-15 -7.498186647119999e-14 ] [ 2.6435914461e-14 -3.18833150166e-14 -1.07345834478e-14 ] [ -3.66898449186e-14 4.6463122386e-15 -9.452842140600001e-15 ] [ 7.41807781542e-14 1.2817413072e-14 -5.4474005556e-15 ] [ 1.07345834478e-14 5.671705284359999e-14 9.629081570339999e-14 ] [ 9.452842140600001e-15 -3.66898449186e-14 -1.7623942974e-15 ] [ 4.02146335134e-14 -9.773277467399999e-15 6.088271209199999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.606128 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.981030353081315e-18 } }