{ "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" [ [ 3.095423 1.998262 0.8352723 ] [ 3.003915 2.107064 3.861401 ] [ 2.921301 4.877628 0.9226955 ] [ 1.839297 3.508607 2.236053 ] [ 4.200263 0.9739816 2.537715 ] [ 4.333089 3.298954 2.357847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.095423e-10 1.998262e-10 8.352723e-11 ] [ 3.003915e-10 2.107064e-10 3.861401e-10 ] [ 2.921301e-10 4.877627999999999e-10 9.226955000000001e-11 ] [ 1.839297e-10 3.508607e-10 2.236053e-10 ] [ 4.200263e-10 9.739816e-11 2.537715e-10 ] [ 4.333089e-10 3.298954000000001e-10 2.357847e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.1531324 -13.4018883 -29.5023168 ] [ -40.3495778 17.4691551 45.1051792 ] [ 67.434144 32.7770888 -27.3867057 ] [ -99.475848 -54.2219533 53.5031003 ] [ 27.7439132 -59.388285 -18.4765814 ] [ 60.800501 76.7658826 -23.2426757 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.588017108396699e-08 -2.147219210883306e-08 -4.726792223639507e-08 ] [ -6.46471502103107e-08 2.798867188634908e-08 7.226646359123446e-08 ] [ 1.080414089604606e-07 5.251468537324553e-08 -4.38783395932701e-08 ] [ -1.593778779998544e-07 -8.687314591136941e-08 8.572141644097747e-08 ] [ 4.445064909854452e-08 -9.515052177640734e-08 -2.960274675138814e-08 ] [ 9.741314123512702e-08 1.229925023767975e-07 -3.723887161137627e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 46.694039 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.481209761652341e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6032976 1.8209471 0.2819715 ] [ 2.903685 2.4099677 4.2428097 ] [ 3.2975503 4.5866242 0.8912961 ] [ 1.1194824 3.280638 2.3239904 ] [ 4.3875225 0.9503207 2.2007839 ] [ 5.0817503 3.7159989 2.8101322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6032976e-10 1.8209471e-10 2.819715e-11 ] [ 2.903685e-10 2.4099677e-10 4.2428097e-10 ] [ 3.2975503e-10 4.5866242e-10 8.912961e-11 ] [ 1.1194824e-10 3.280638e-10 2.3239904e-10 ] [ 4.387522500000001e-10 9.503207e-11 2.2007839e-10 ] [ 5.081750300000001e-10 3.7159989e-10 2.8101322e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 1.45e-05 -1.93e-05 ] [ -8.2e-06 3.07e-05 -1.79e-05 ] [ -1.5e-06 6.8e-06 -3.1e-06 ] [ 1.08e-05 -3.67e-05 2.13e-05 ] [ -4.9e-06 8.2e-06 1.48e-05 ] [ 7.3e-06 -2.35e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6076181728e-15 2.32315610016e-14 -3.092200878144e-14 ] [ -1.313784829056e-14 4.918682225856e-14 -2.867896151232001e-14 ] [ -2.4032649312e-15 1.089480102144e-14 -4.96674752448e-15 ] [ 1.730350750464e-14 -5.879988198335999e-14 3.412636202304e-14 ] [ -7.850665441919999e-15 1.313784829056e-14 2.371221398784e-14 ] [ 1.169588933184e-14 -3.76511505888e-14 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.010417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.565151580665888e-18 } }