{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0388078 1.2999071 3.2155701 ] [ 2.4301156 1.6782711 -0.5075107 ] [ -0.050034 -0.2211931 -3.2080571 ] [ 0.9655068 -10.3977445 -3.9134382 ] [ -1.4350287 -4.4914994 3.6612222 ] [ -1.4970524 14.2939816 1.8036238 ] [ -1.452315 -2.1617228 -1.05141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.664353570664682e-09 2.082680764831928e-09 5.151911236763518e-09 ] [ 3.893474400161365e-09 2.688886719784299e-09 -8.131217783458425e-10 ] [ -8.016330504510719e-11 -3.543904135022765e-10 -5.139874083811447e-09 ] [ 1.546912422183421e-09 -1.665902314695179e-08 -6.270019190985635e-09 ] [ -2.299169433317017e-09 -7.196175331017228e-09 5.865924612393943e-09 ] [ -2.39854235539253e-09 2.290148313766538e-08 2.889723885078455e-09 ] [ -2.326865139037152e-09 -3.463461730810315e-09 -1.684544520875328e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.808203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.814494622986042e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3833384 1.6010273 0.9143359 ] [ 2.9462975 0.737963 3.1235634 ] [ 2.3184562 3.0775623 2.8526182 ] [ 4.526582 2.1604106 1.9316557 ] [ 4.1673679 2.4744141 4.321988 ] [ 4.3590852 4.4106577 2.8534237 ] [ 3.2565028 3.8708718 0.7473749 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3833384e-10 1.6010273e-10 9.143359e-11 ] [ 2.9462975e-10 7.37963e-11 3.1235634e-10 ] [ 2.3184562e-10 3.0775623e-10 2.8526182e-10 ] [ 4.526582000000001e-10 2.1604106e-10 1.9316557e-10 ] [ 4.167367900000001e-10 2.474414100000001e-10 4.321988e-10 ] [ 4.3590852e-10 4.4106577e-10 2.8534237e-10 ] [ 3.2565028e-10 3.870871800000001e-10 7.473749e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.15e-05 -1.35e-05 -5.4e-06 ] [ -1.95e-05 -1.04e-05 2.61e-05 ] [ -3.83e-05 1.67e-05 1.65e-05 ] [ 1.27e-05 -1.12e-05 -1.5e-05 ] [ 6.5e-06 -3.55e-05 1.51e-05 ] [ 9.8e-06 1.72e-05 -3.35e-05 ] [ -1.28e-05 3.67e-05 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.64903297632e-14 -2.16293843808e-14 -8.65175375232e-15 ] [ -3.12424441056e-14 -1.666263685632e-14 4.181680980288e-14 ] [ -6.136336457664001e-14 2.675634956736e-14 2.64359142432e-14 ] [ 2.034764308416e-14 -1.794437815296e-14 -2.4032649312e-14 ] [ 1.04141480352e-14 -5.68772700384e-14 2.419286697408e-14 ] [ 1.570133088384e-14 2.755743787776e-14 -5.36729167968e-14 ] [ -2.050786074624e-14 5.879988198335999e-14 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -31.275942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010958306589679e-18 } }