{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4998929 0.2798299 -0.8814379999999998 ] [ -0.9002701 0.9844705 -2.1210929999999997 ] [ -1.5027888 -0.355436 -0.7121783999999999 ] [ 1.6482814 0.6494937 1.2637451999999998 ] [ -1.1010627 -2.6330246 0.5652235999999999 ] [ 1.5500629 1.4589609 3.061685699999999 ] [ -0.9599071 -3.045404 -4.133665599999999 ] [ 3.7655774 2.6611095 2.9577205999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.005269958883912e-09 4.48336923580802e-10 -1.41221935628471e-09 ] [ -1.442391706625278e-09 1.577295618967287e-09 -3.398365615142534e-09 ] [ -2.407733081360087e-09 -5.694712493906688e-10 -1.141035582318751e-09 ] [ 2.640837923579493e-09 1.040603621496889e-09 2.02474301408822e-09 ] [ -1.764096915974924e-09 -4.218570456111272e-09 9.055880374444108e-10 ] [ 2.483474539149449e-09 2.337513044641327e-09 4.905361248777681e-09 ] [ -1.537940713759928e-09 -4.879275089690804e-09 -6.622862382525202e-09 ] [ 6.033120074092851e-09 4.263567426288777e-09 4.738790796178548e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.366336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.666311670255739e-18 } }