{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8096643 2.3235204 -3.2538755 ] [ -1.5861772 0.0920309 -0.9480635 ] [ -2.2620316 -1.3565396 -3.2965096 ] [ 0.6328533 3.5937908 3.5942669 ] [ 1.6384985 -1.5712655 1.0867503 ] [ 0.9631746 -2.158013 -1.2071371 ] [ -1.7151999 0.3307527 -0.5423313 ] [ -1.480782 -1.2542768 4.5668998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.103755074556398e-09 3.722690062831864e-09 -5.21328325309391e-09 ] [ -2.541336026286006e-09 1.474497563711827e-10 -1.518965174733821e-09 ] [ -3.624174145030817e-09 -2.173416032309384e-09 -5.281590611362759e-09 ] [ 1.013942761656129e-09 5.757887599806129e-09 5.758650396095291e-09 ] [ 2.625163989915869e-09 -2.517444849169623e-09 1.741165923307386e-09 ] [ 1.543175825868392e-09 -3.457517975982471e-09 -1.934046839720312e-09 ] [ -2.748053179778498e-09 5.299242432064762e-10 -8.689105295880709e-10 ] [ -2.372474300901466e-09 -2.009572964971837e-09 7.316980089096195e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.073612 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.619412115341033e-18 } }