{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2388213 -0.980017 -0.9471352 ] [ -1.0733997 0.8879268 -0.7643265 ] [ -0.310827 0.7167457 1.0867531 ] [ -0.6059498 0.207717 0.8033498 ] [ 2.0856128 -0.5034241 0.435304 ] [ 0.278796 0.3992945 0.3989873 ] [ -0.135411 -0.728243 -1.0129325 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.82633903409063e-10 -1.570160325386554e-09 -1.517477874176732e-09 ] [ -1.719775904113734e-09 1.422615559941757e-09 -1.224586048957891e-09 ] [ -4.979997525134017e-10 1.148353203598931e-09 1.741170409401924e-09 ] [ -9.708386029384358e-10 3.327993211427136e-10 1.287108267884356e-09 ] [ 3.341520068201226e-09 -8.065743233672814e-10 6.974338917407232e-10 ] [ 4.466804331725568e-10 6.397403127140256e-10 6.392481240561157e-10 ] [ -2.169523383991488e-10 -1.166773908861254e-09 -1.622896769948496e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.680411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.153149439193515e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5649658 2.703203 1.2923989 ] [ 1.266612 1.7857952 3.0810149 ] [ 2.0298129 4.046285 3.2659142 ] [ 4.4151042 1.4331515 2.1233165 ] [ 3.2439923 1.0001462 4.1518647 ] [ 4.357039 3.7856234 2.558035 ] [ 3.6910987 3.2501857 4.7932788 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5649658e-10 2.703203e-10 1.2923989e-10 ] [ 1.266612e-10 1.7857952e-10 3.0810149e-10 ] [ 2.0298129e-10 4.046285e-10 3.2659142e-10 ] [ 4.4151042e-10 1.4331515e-10 2.1233165e-10 ] [ 3.2439923e-10 1.0001462e-10 4.1518647e-10 ] [ 4.357039000000001e-10 3.7856234e-10 2.558035e-10 ] [ 3.6910987e-10 3.2501857e-10 4.793278800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-05 -1.4e-05 -1.06e-05 ] [ 9.9e-06 1.53e-05 -4.18e-05 ] [ 4.7e-06 -2.46e-05 2.29e-05 ] [ -6.8e-06 1.9e-06 3.1e-06 ] [ 3e-07 -1.83e-05 1.93e-05 ] [ 2.4e-05 9.7e-06 1.7e-05 ] [ 7.8e-06 3e-05 -1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.4087064832e-14 -2.24304726912e-14 -1.698307218048e-14 ] [ 1.586154854592e-14 2.451330229824e-14 -6.697098274944e-14 ] [ 7.53023011776e-15 -3.941354487168e-14 3.668984461632e-14 ] [ -1.089480102144e-14 3.04413557952e-15 4.96674752448e-15 ] [ 4.8065298624e-16 -2.931983216064e-14 3.092200878144e-14 ] [ 3.84522388992e-14 1.554111322176e-14 2.72370025536e-14 ] [ 1.249697764224e-14 4.8065298624e-14 -1.6021766208e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }