{ "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" [ [ 1.30949 2.712734 2.978333 ] [ 0.0672006 1.690783 1.932827 ] [ 2.539316 0.8650755 1.245634 ] [ 2.964133 0.3086468 2.850804 ] [ 2.353048 2.858216 0.4219119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.30949e-10 2.712734e-10 2.978333e-10 ] [ 6.72006e-12 1.690783e-10 1.932827e-10 ] [ 2.539316e-10 8.650755e-11 1.245634e-10 ] [ 2.964133e-10 3.086468e-11 2.850804e-10 ] [ 2.353048e-10 2.858216e-10 4.219119e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.4924771 7.5215076 4.8226293 ] [ -7.4419853 -7.0903193 -6.2531465 ] [ -6.5826239 3.0614487 -18.9459156 ] [ 6.3831883 -7.3390701 20.0618803 ] [ 0.1489438 3.8464332 0.3145526 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.200427164149938e-08 1.205078362988952e-08 7.72670391524507e-09 ] [ -1.192337485999727e-08 -1.135994381646702e-08 -1.001864512873735e-08 ] [ -1.054652611609932e-08 4.904981532918554e-09 -3.035470303397e-08 ] [ 1.02269950604241e-08 -1.175848653263232e-08 3.214267558594809e-08 ] [ 2.38634274173111e-10 6.16266534650893e-09 5.039688217318541e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6142257 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.392804539634516e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7071774 3.6703372 2.19869 ] [ 0.2190014 1.4267728 2.1875857 ] [ 2.1767336 0.7090856 1.1674334 ] [ 3.4796424 -0.3521538 2.6872497 ] [ 2.6506329 2.9814135 1.1885512 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.071774e-11 3.6703372e-10 2.19869e-10 ] [ 2.190014e-11 1.4267728e-10 2.1875857e-10 ] [ 2.1767336e-10 7.090856e-11 1.1674334e-10 ] [ 3.4796424e-10 -3.521538e-11 2.6872497e-10 ] [ 2.6506329e-10 2.9814135e-10 1.1885512e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 -5.4e-06 7e-07 ] [ 2.6e-06 3.3e-06 1e-07 ] [ -4.6e-06 5.3e-06 9e-07 ] [ 9e-07 -8e-07 5e-07 ] [ 6.7e-06 -2.5e-06 -2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 -8.65175375232e-15 1.12152363456e-15 ] [ 4.16565921408e-15 5.28718284864e-15 1.6021766208e-16 ] [ -7.370012455680001e-15 8.491536090240001e-15 1.44195895872e-15 ] [ 1.44195895872e-15 -1.28174129664e-15 8.010883104e-16 ] [ 1.073458335936e-14 -4.005441552e-15 -3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.225436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.118948435908667e-18 } }