{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5048e-10 0.0 0.0 ] "source-value" [ 5.5048 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.92448e-12 5.36034e-10 0.0 ] "source-value" [ 0.0192448 5.36034 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.90348e-11 1.57222e-12 5.58687e-10 ] "source-value" [ 0.190348 0.0157222 5.58687 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.189019829842352e-09 -2.584199377857592e-09 -5.99850312558852e-09 ] [ -4.717999029735103e-09 7.243854665293277e-09 5.408411222217508e-09 ] [ 2.895896911380735e-09 -7.298191363864075e-09 -1.158641981313553e-08 ] [ -4.644604760695214e-09 5.437140652293383e-09 7.073717927753904e-09 ] [ 8.467849350860431e-09 1.628810884508855e-09 -8.624326090748526e-10 ] [ -1.379533463196133e-08 5.570138134674301e-09 4.210362184847589e-09 ] [ 1.500753521476979e-08 -4.361216246102647e-09 -6.531587021308877e-10 ] [ -1.140236288446166e-08 -5.636337509163164e-09 2.408023075328452e-09 ] ] "source-value" [ [ 5.1111842 -1.6129304 -3.7439712 ] [ -2.9447434 4.5212585 3.3756648 ] [ 1.8074767 -4.5551728 -7.2316745 ] [ -2.8989343 3.3935963 4.4150675 ] [ 5.2852159 1.0166238 -0.5382881 ] [ -8.6103707 3.4766068 2.6279014 ] [ 9.3669668 -2.7220571 -0.4076696 ] [ -7.1167952 -3.5179252 1.5029698 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.13409e-12 -6.87251e-12 -7.641280000000001e-12 ] [ 1.39555e-10 1.34846e-10 1.39039e-10 ] [ 1.52538e-11 2.8802e-10 2.74744e-10 ] [ 1.52254e-10 4.15487e-10 3.864390000000001e-10 ] [ 2.76536e-10 1.71046e-12 2.52424e-10 ] [ 4.13989e-10 1.28016e-10 4.0502e-10 ] [ 2.78466e-10 2.66896e-10 -1.7742e-11 ] [ 4.2307e-10 4.058290000000001e-10 1.13615e-10 ] ] "source-value" [ [ -0.0113409 -0.0687251 -0.0764128 ] [ 1.39555 1.34846 1.39039 ] [ 0.152538 2.8802 2.74744 ] [ 1.52254 4.15487 3.86439 ] [ 2.76536 0.0171046 2.52424 ] [ 4.13989 1.28016 4.0502 ] [ 2.78466 2.66896 -0.17742 ] [ 4.2307 4.05829 1.13615 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.360974037335026e-18 "source-value" -14.736041 } }