{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.31945e-10 0.0 0.0 ] "source-value" [ 5.31945 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] "source-value" [ -0.00383334 5.41695 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] "source-value" [ 0.0189848 -0.118491 5.47074 ] } "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" [ [ 2.076889857653708e-09 1.958181387465395e-09 -2.094698531446886e-10 ] [ -2.329649401568778e-09 6.260668567791322e-10 -1.298649707389951e-09 ] [ 7.065019710879581e-09 7.023263142917643e-09 -5.164755406079486e-09 ] [ -2.002305652037551e-09 -1.863449490407353e-09 -4.056257787881914e-10 ] [ -1.097400462268925e-09 4.609410868389734e-10 -3.123424096130151e-10 ] [ -6.28121327859984e-09 -4.92506401577197e-09 7.392946812918441e-09 ] [ 3.075733706835418e-10 -1.59730231886654e-09 4.983914846971871e-10 ] [ 2.261085855258263e-09 -1.682636809172941e-09 -5.004951426002976e-10 ] ] "source-value" [ [ 1.2962927 1.2222007 -0.1307408 ] [ -1.4540528 0.3907602 -0.8105534 ] [ 4.4096385 4.3835761 -3.2235868 ] [ -1.2497409 -1.1630737 -0.2531717 ] [ -0.6849435 0.2876968 -0.1949488 ] [ -3.920425 -3.0739832 4.6143145 ] [ 0.1919722 -0.9969577 0.3110715 ] [ 1.4112588 -1.0502193 -0.3123845 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.673283541821151e-18 "source-value" -35.409851 } }