{ "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" [ 5.5048 0 0 ] "si-unit" "m" "si-value" [ 5.5048e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0192448 5.36034 0 ] "si-unit" "m" "si-value" [ 1.92448e-12 5.36034e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.190348 0.0157222 5.58687 ] "si-unit" "m" "si-value" [ 1.90348e-11 1.57222e-12 5.58687e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 21.7143559 23.2519535 -21.7364769 ] [ -10.0408961 9.0452828 -11.5438008 ] [ -19.6176462 -16.3538071 -15.3277308 ] [ 8.4598854 4.9014006 27.3516704 ] [ 20.9452865 -1.4446867 -1.2235786 ] [ 9.2720703 -7.7323048 -7.95316 ] [ -9.5074511 8.9263965 6.5291043 ] [ -21.2256047 -20.5942349 23.9039724 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.479023364534004e-08 3.725373659255451e-08 -3.482567539466075e-08 ] [ -1.608728911584172e-08 1.449214075008209e-08 -1.849520790931051e-08 ] [ -3.143093435571888e-08 -2.62016876125633e-08 -2.455773214000212e-08 ] [ 1.355423071419774e-08 7.85290951519358e-09 4.382220721574943e-08 ] [ 3.355804862273564e-08 -2.314643274190568e-09 -1.960389042782432e-09 ] [ 1.485549438346537e-08 -1.238851807752604e-08 -1.274236711846344e-08 ] [ -1.52326160013176e-08 1.430166389811938e-08 1.046077835040892e-08 ] [ -3.400716789286058e-08 -3.299560195188732e-08 3.82983860390609e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -27.45986 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.399554606491124e-18 } }