{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.3459445 -15.6957823 -15.815391 ] [ -6.4575011 -20.853056 48.9479935 ] [ 1.1163233 0.197198 1.2930191 ] [ -335.6000798 -531.3323371 353.2096835 ] [ 328.1551484 524.9688774 -358.8052982 ] [ 7.1185535 4.1944703 5.3288555 ] [ 20.6365869 37.1971756 -34.1681387 ] [ 0.3769133 1.323454 0.0092762 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.458691350199435e-08 -2.514741544622645e-08 -2.533904970901073e-08 ] [ -1.034605729121028e-08 -3.341027879543316e-08 7.842333082077037e-08 ] [ 1.788547092514305e-09 3.159460252685184e-10 2.071644972267857e-09 ] [ -5.376906017941743e-07 -8.512882483766446e-07 5.659042971438676e-07 ] [ 5.257625067616345e-07 8.410928620179014e-07 -5.748694601952123e-07 ] [ 1.140517999161401e-08 6.720282251299962e-09 8.537767697721495e-09 ] [ 3.306345706428755e-08 5.959644510611221e-08 -5.474339300139171e-08 ] [ 6.038816773285767e-10 2.120407057504243e-09 1.486211076986496e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 34.333903 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.500897668741499e-18 } }