{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8707177999999998 1.8177923999999996 -0.9030936999999998 ] [ 0.4119571999999999 -0.6788379999999999 -0.6550442999999999 ] [ -0.8220120999999998 1.7041394999999995 0.061732399999999986 ] [ -0.12452769999999998 -0.9864370999999997 0.3121284999999999 ] [ -0.4756169999999999 0.09665809999999997 -0.08764009999999998 ] [ 1.0110861999999998 -0.9888602999999998 0.36294579999999993 ] [ -1.8044845999999997 0.025766699999999993 -0.9590745999999998 ] [ 0.9328801999999998 -0.9902212999999997 1.8680458999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.39504370247441e-09 2.912424484747921e-09 -1.446915612531769e-09 ] [ 6.600281946102297e-10 -1.08761837291063e-09 -1.049496663048301e-09 ] [ -1.317008568634712e-09 2.730332465481801e-09 9.890620802587389e-11 ] [ -1.995153695819961e-10 -1.580446459509751e-09 5.000849853853727e-10 ] [ -7.620224378550334e-10 1.548633480309484e-10 -1.404149192645741e-10 ] [ 1.619938671253513e-09 -1.584328853897274e-09 5.815032753775525e-10 ] [ -2.891103038713639e-09 4.128280433516734e-11 -1.536606901723111e-09 ] [ 1.494638846447228e-09 -1.586509416278183e-09 2.992939467561294e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.323605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.819683071417399e-18 } }