{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42802e-10 0.0 0.0 ] "source-value" [ 5.42802 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] "source-value" [ -0.0476613 5.42825 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] "source-value" [ -0.0987222 -0.186163 5.49756 ] } "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" [ [ 1.37998827307348e-08 -5.817582457649868e-09 -3.504658338043283e-09 ] [ 1.743513432492183e-09 1.692135313269354e-09 3.286594569722285e-09 ] [ 3.752619843632043e-09 -7.695024878010302e-09 8.18366936101719e-09 ] [ -8.658405989649561e-09 1.033148629593242e-08 -4.533185072607906e-09 ] [ -1.732122437371281e-09 -1.850451672353451e-09 3.691758921643686e-09 ] [ -4.407951738131383e-09 7.081558499483114e-09 -7.927819218400597e-09 ] [ 1.364928389621543e-09 -1.103506293283729e-08 -1.054200333171646e-09 ] [ -5.862464071110676e-09 7.292941992383686e-09 1.85784010984027e-09 ] ] "source-value" [ [ 8.613209399999999 -3.6310493999999993 -2.1874356999999995 ] [ 1.0882154999999998 1.0561477999999997 2.0513309999999993 ] [ 2.3422010999999996 -4.802856799999999 5.107844699999999 ] [ -5.404151999999999 6.448406599999998 -2.8293915999999997 ] [ -1.0811057999999998 -1.1549610999999997 2.3042146999999997 ] [ -2.7512270999999995 4.4199611999999995 -4.948155599999999 ] [ 0.8519212999999998 -6.887544599999998 -0.6579800999999998 ] [ -3.659062299999999 4.5518963999999995 1.1595725999999997 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.712473162907406e-18 "source-value" -16.929926 } }