{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.5498708 -33.8690233 -4.0529283 ] [ -14.7481443 20.514039 -9.1196913 ] [ -7.9103966 12.1031395 18.8684886 ] [ 2.5749505 -7.6435567 1.6223819 ] [ 25.1530643 6.0231717 -12.3459034 ] [ 7.480397 2.8722298 5.0276525 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.010710958982059e-08 -5.426415730059047e-08 -6.493506968038688e-09 ] [ -2.362913199764478e-08 3.286711368397941e-08 -1.461135618977316e-08 ] [ -1.267385249377581e-08 1.9391367145181e-08 3.023065130475132e-08 ] [ 4.12552549081727e-09 -1.22463278444992e-08 2.599342350189084e-09 ] [ 4.029965156293912e-08 9.65018488080419e-09 -1.978031779013523e-08 ] [ 1.198491718770246e-08 4.60181943512506e-09 8.055187293006673e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 8.5940436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.376917573405587e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0828758 0.4362942 0.8776845 ] [ 0.117685 2.7957553 0.5660864 ] [ 0.3959885 3.3959113 2.975312 ] [ 1.6461477 -0.0056531 2.4702261 ] [ 2.6109564 2.8707983 0.4247694 ] [ 2.5673475 2.1696113 2.8223599 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.28758e-12 4.362942e-11 8.776845e-11 ] [ 1.17685e-11 2.7957553e-10 5.660864e-11 ] [ 3.959885000000001e-11 3.3959113e-10 2.975312e-10 ] [ 1.6461477e-10 -5.6531e-13 2.4702261e-10 ] [ 2.6109564e-10 2.8707983e-10 4.247694e-11 ] [ 2.5673475e-10 2.1696113e-10 2.8223599e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.3e-06 -1.47e-05 1.9e-05 ] [ -1.48e-05 2.6e-06 -1.22e-05 ] [ 7.2e-06 1.47e-05 -9.8e-06 ] [ -4.9e-06 8.9e-06 -2.38e-05 ] [ -2e-06 6.8e-06 9.1e-06 ] [ 5.2e-06 -1.82e-05 1.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.490024257344e-14 -2.355199632576e-14 3.04413557952e-14 ] [ -2.371221398784e-14 4.16565921408e-15 -1.954655477376e-14 ] [ 1.153567166976e-14 2.355199632576e-14 -1.570133088384e-14 ] [ -7.850665441919999e-15 1.425937192512e-14 -3.813180357504e-14 ] [ -3.2043532416e-15 1.089480102144e-14 1.457980724928e-14 ] [ 8.33131842816e-15 -2.915961449856e-14 2.819830852608e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }