{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6561389 0.2154355 3.4078172 ] [ -1.0014828 -0.5228496 -0.2752713 ] [ 2.7936697 2.420701 1.084039 ] [ -2.1937723 0.4997686 -4.733885 ] [ 0.3680666 0.3143645 -0.4241171 ] [ -3.2172672 0.4661591 -1.6676696 ] [ 4.4414173 -2.7847152 1.9446754 ] [ -3.84677 -0.6088639 0.6644112 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.255603647177429e-09 3.451657213903584e-10 5.459925045800119e-09 ] [ -1.604552328293322e-09 -8.376974053146317e-10 -4.41033241237223e-10 ] [ 4.47595227957735e-09 3.878390548147181e-09 1.736821941835411e-09 ] [ -3.514810690418644e-09 8.007175667299469e-10 -7.584519872555809e-09 ] [ 5.897077014173454e-10 5.036674523094816e-10 -6.795105021014958e-10 ] [ -5.154630290706678e-09 7.468692115931692e-10 -2.671901244338888e-09 ] [ 7.11593496127666e-09 -4.461605589026396e-09 3.115713460924888e-09 ] [ -6.163204959594816e-09 -9.755075058291092e-10 1.064504091237673e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.36725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.66645810919888e-18 } }