{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9096359 0.687861 0.2673976 ] [ -0.2750889 -0.9527708 0.9629902 ] [ -0.0889045 1.2511686 -0.5493247 ] [ 0.9429834 -0.3926681 -0.7980639 ] [ 0.076162 0.6425998 0.8165602 ] [ -1.0321093 -1.1473607 0.2503072 ] [ 0.4427586 -0.2864911 -1.6583781 ] [ 0.8438346 0.1976614 0.7085114 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.457397372420367e-09 1.102074812560109e-09 4.284181831780301e-10 ] [ -4.407410042215892e-10 -1.526507100740913e-09 1.542880384499516e-09 ] [ -1.424407113839136e-10 2.004593079599067e-09 -8.801151915679737e-10 ] [ 1.510825957282495e-09 -6.291236495539565e-10 -1.278639322484469e-09 ] [ 1.220249757933696e-10 1.029558376090756e-09 1.308273661915772e-09 ] [ -1.653621390570253e-09 -1.838274489164722e-09 4.010363438579098e-10 ] [ 7.093774775781389e-10 -4.590093424872749e-10 -2.657014620266724e-09 ] [ 1.35197206794212e-09 3.166884739145971e-10 1.135160400650277e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 663.77926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.063491611743925e-16 } }