{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.468554 0.0062453 1.779472 ] [ 0.0137549 1.819656 0.3703857 ] [ 0.6368997 2.724291 2.946976 ] [ 2.361208 0.5254432 0.0878272 ] [ 1.952332 1.317185 1.267695 ] [ 2.764287 2.133831 2.76552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.685540000000001e-11 6.2453e-13 1.779472e-10 ] [ 1.37549e-12 1.819656e-10 3.703857e-11 ] [ 6.368997e-11 2.724291e-10 2.946976e-10 ] [ 2.361208e-10 5.254432e-11 8.782719999999999e-12 ] [ 1.952332e-10 1.317185e-10 1.267695e-10 ] [ 2.764287e-10 2.133831e-10 2.76552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.4457559 -17.2789936 19.749808 ] [ -5.719351 13.6860624 0.0476339 ] [ -9.1474567 2.0287811 -3.9552737 ] [ 14.3427581 -1.2721428 -17.4828088 ] [ 11.146114 1.3967268 -2.6830712 ] [ 4.8236915 1.4395662 4.3237118 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.474682899356366e-08 -2.768399957687283e-08 3.164268064288881e-08 ] [ -9.1634104583491e-09 2.192748920808994e-08 7.631792093752511e-11 ] [ -1.465584126452032e-08 3.250465647140907e-09 -6.337047051005112e-09 ] [ 2.297963170560983e-08 -2.03819745247905e-09 -2.801054752527651e-08 ] [ 1.785804326357157e-08 2.237803024604797e-09 -4.298753948581801e-09 ] [ 7.728405747251683e-09 2.306439309733897e-09 6.927349961037085e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3603619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.019042313600707e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6949161 -0.6500013 1.5065476 ] [ 0.0163457 1.6877887 0.7852521 ] [ 0.7613233 3.2534146 2.4122328 ] [ 1.6297362 0.3805143 -0.6769507 ] [ 2.3919731 1.2318943 1.6034112 ] [ 2.7027411 2.6230409 3.5873829 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.949161000000001e-11 -6.500013e-11 1.5065476e-10 ] [ 1.63457e-12 1.6877887e-10 7.852521e-11 ] [ 7.613233e-11 3.2534146e-10 2.4122328e-10 ] [ 1.6297362e-10 3.805143000000001e-11 -6.769507000000001e-11 ] [ 2.3919731e-10 1.2318943e-10 1.6034112e-10 ] [ 2.7027411e-10 2.6230409e-10 3.5873829e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.11e-05 0.0001334 -0.0001565 ] [ 0.0001853 -9.39e-05 -5.64e-05 ] [ -5.28e-05 -0.0001059 5.35e-05 ] [ -0.0001149 5.26e-05 0.0002318 ] [ -1.14e-05 -0.0001129 -2.23e-05 ] [ 2.48e-05 0.0001267 -5.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.982769290688e-14 2.1373036121472e-13 -2.507406411552e-13 ] [ 2.9688332783424e-13 -1.5044438469312e-13 -9.036276141312001e-14 ] [ -8.459492557824e-14 -1.6967050414272e-13 8.57164492128e-14 ] [ -1.8409009372992e-13 8.427449025408001e-14 3.7138454070144e-13 ] [ -1.826481347712e-14 -1.8088574048832e-13 -3.572853864384e-14 ] [ 3.973398019584e-14 2.0299577785536e-13 -8.026904870208e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.371262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.263835971259145e-18 } }