{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40836e-10 0.0 0.0 ] "source-value" [ 5.40836 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] "source-value" [ 0.0676972 5.56169 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] "source-value" [ 0.0290382 0.0456166 5.46301 ] } "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" [ [ -6.386927775958142e-09 -8.816377400107199e-10 -3.018086751148385e-09 ] [ 4.136992268892336e-09 -5.285015103672058e-10 -5.197486592701133e-10 ] [ -8.129120854697121e-09 -7.21247843943984e-10 1.351524259576606e-09 ] [ 5.677445355811341e-09 5.317790029715453e-09 -7.973379353660314e-10 ] [ -3.405336685619635e-10 -3.621278050571059e-09 1.573886026900562e-09 ] [ 5.853256362070939e-09 -4.166807173628803e-09 -5.472711376540074e-09 ] [ -4.411136544818211e-09 8.180558414672584e-10 4.844736968276218e-10 ] [ 3.600025017478485e-09 3.783626447339061e-09 6.398000899237477e-09 ] ] "source-value" [ [ -3.9864068 -0.550275 -1.8837416 ] [ 2.5821075 -0.3298647 -0.3244016 ] [ -5.0737982 -0.4501675 0.8435551 ] [ 3.5435827 3.3191035 -0.4976592 ] [ -0.2125444 -2.260224 0.9823424 ] [ 3.6533153 -2.6007165 -3.4157978 ] [ -2.7532149 0.5105903 0.3023847 ] [ 2.2469589 2.3615539 3.9933181 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.60852e-11 -1.74641e-12 4.14383e-12 ] [ 1.3693e-10 1.3835e-10 1.35672e-10 ] [ 1.68786e-11 2.76991e-10 2.61562e-10 ] [ 1.32577e-10 4.008910000000001e-10 4.07743e-10 ] [ 2.71647e-10 6.728760000000001e-12 2.67609e-10 ] [ 4.01486e-10 1.47906e-10 4.19059e-10 ] [ 2.74225e-10 2.69331e-10 -4.28987e-12 ] [ 4.04746e-10 4.06755e-10 1.1226e-10 ] ] "source-value" [ [ 0.160852 -0.0174641 0.0414383 ] [ 1.3693 1.3835 1.35672 ] [ 0.168786 2.76991 2.61562 ] [ 1.32577 4.00891 4.07743 ] [ 2.71647 0.0672876 2.67609 ] [ 4.01486 1.47906 4.19059 ] [ 2.74225 2.69331 -0.0428987 ] [ 4.04746 4.06755 1.1226 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.512584265448938e-18 "source-value" -34.406845 } }