{ "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" [ 5.51626 0 0 ] "si-unit" "m" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0156708 5.55287 0 ] "si-unit" "m" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0707378 -0.0779479 5.31818 ] "si-unit" "m" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0442334 -0.0178769 0.0866315 ] [ 1.37385 1.41168 1.32363 ] [ 0.027051 2.64271 2.7677 ] [ 1.3087 3.96384 4.18589 ] [ 2.72942 0.00808237 2.56914 ] [ 4.1019 1.31789 4.05807 ] [ 2.73169 2.7615 0.0742825 ] [ 4.00667 4.08894 1.33622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.42334e-12 -1.78769e-12 8.66315e-12 ] [ 1.37385e-10 1.41168e-10 1.32363e-10 ] [ 2.7051e-12 2.64271e-10 2.7677e-10 ] [ 1.3087e-10 3.96384e-10 4.18589e-10 ] [ 2.72942e-10 8.082370000000001e-13 2.56914e-10 ] [ 4.1019e-10 1.31789e-10 4.05807e-10 ] [ 2.73169e-10 2.7615e-10 7.42825e-12 ] [ 4.00667e-10 4.08894e-10 1.33622e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1108675 0.19338 -0.0522114 ] [ -0.3621243 -0.5687988 0.6846355 ] [ -1.0317108 0.9039379 -0.6878689 ] [ 1.1814198 0.9186213 -1.9031473 ] [ -0.2374082 -0.5893937 2.0388517 ] [ 0.6056427 -1.0688535 -0.3129966 ] [ -0.3908166 -0.3242996 -0.69031 ] [ 2.3458649 0.5354065 0.9230469 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.381982585969994e-09 3.0982891748292e-10 -8.36518851084276e-11 ] [ -5.801870920636061e-10 -9.113161468072392e-10 1.096907000906907e-09 ] [ -1.652982936805447e-09 1.448268181967028e-09 -1.102087478835283e-09 ] [ 1.892843198504953e-09 1.471793582354704e-09 -3.049178135120188e-09 ] [ -3.803698707599988e-10 -9.443128143668057e-10 3.266600553931177e-09 ] [ 9.703465824926717e-10 -1.712492102869119e-09 -5.014758390414444e-10 ] [ -6.261572246993244e-10 -5.195852415355464e-10 -1.10599855221654e-09 ] [ 3.758489929300746e-09 8.57815783991721e-10 1.478884175266134e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.020913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.771186514394684e-18 } }