{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8550673 -2.5938286 -1.523843 ] [ -0.0432592 2.1420669 -0.9004642 ] [ 0.472631 -1.4818134 1.3650022 ] [ -2.3456743 -1.1444613 1.2587419 ] [ 0.2786139 0.2723192 -1.3226437 ] [ -0.3308404 2.1337578 1.8206319 ] [ 1.1134616 0.6719594 -0.697425 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.369968848557468e-09 -4.155771575520932e-09 -2.441465648484462e-09 ] [ -6.930887944553279e-11 3.431969535644815e-09 -1.442702700993503e-09 ] [ 7.572383447040539e-10 -2.374126805428096e-09 2.186974630198595e-09 ] [ -3.758184554434307e-09 -1.833629153377264e-09 2.016726860416764e-09 ] [ 4.463886804876126e-10 4.363034592295727e-10 -2.119108831247305e-09 ] [ -5.300647584632135e-10 3.418656889775245e-09 2.916973889295024e-09 ] [ 1.783962158376254e-09 1.07659764967666e-09 -1.11739803896745e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.004374005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.884618734183453e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6957235 2.3040496 2.7746983 ] [ 2.8105323 4.5324474 3.3139211 ] [ 5.7188356 2.5119392 1.5321672 ] [ 3.5114284 2.8770602 0.7068515 ] [ 4.8137396 1.9537477 3.5666035 ] [ 4.682154 4.6627945 1.8110236 ] [ 5.0179597 4.1673713 4.1392068 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6957235e-10 2.3040496e-10 2.7746983e-10 ] [ 2.8105323e-10 4.5324474e-10 3.3139211e-10 ] [ 5.7188356e-10 2.5119392e-10 1.5321672e-10 ] [ 3.5114284e-10 2.8770602e-10 7.068515e-11 ] [ 4.8137396e-10 1.9537477e-10 3.5666035e-10 ] [ 4.682153999999999e-10 4.662794500000001e-10 1.8110236e-10 ] [ 5.0179597e-10 4.1673713e-10 4.1392068e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.86e-05 -6.6e-06 1.48e-05 ] [ 1.54e-05 1.97e-05 -1.18e-05 ] [ 1.46e-05 4e-06 -1.4e-05 ] [ -3.7e-06 -1.87e-05 8.5e-06 ] [ 1.06e-05 -8.7e-06 -1.58e-05 ] [ 5.4e-06 1.33e-05 1.04e-05 ] [ -2.36e-05 -3.1e-06 7.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.98004853924e-14 -1.05743657844e-14 2.37122141832e-14 ] [ 2.46735201636e-14 3.15628796898e-14 -1.89056842812e-14 ] [ 2.33917788564e-14 6.408706535999999e-15 -2.243047287599999e-14 ] [ -5.9280535458e-15 -2.99607030558e-14 1.3618501389e-14 ] [ 1.69830723204e-14 -1.39389367158e-14 -2.53143908172e-14 ] [ 8.6517538236e-15 2.13089492322e-14 1.66626369936e-14 ] [ -3.78113685624e-14 -4.9667475654e-15 1.26571954086e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }