{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] "source-value" [ 5.4207 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] "source-value" [ -0.121917 5.37017 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] "source-value" [ -0.0328689 -0.300504 5.4102 ] } "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" [ [ 7.348542167437645e-09 1.442027676075266e-08 -6.046873318423459e-09 ] [ -2.56710447374898e-09 -2.741381379872396e-08 6.213162428807981e-10 ] [ -5.278080883257236e-09 1.650213048201293e-08 1.798991521687638e-09 ] [ 1.178691699655075e-09 -6.289168245739774e-09 1.048221971328793e-09 ] [ -4.451638127833075e-09 1.187485246038336e-11 -6.509629190720814e-09 ] [ 8.3185010151936e-12 -1.552649976880168e-09 9.297938179620545e-09 ] [ 9.407618865203638e-09 1.362905369267758e-08 -1.466462183327295e-08 ] [ -5.64634774847226e-09 -9.307703766559647e-09 1.445465642689945e-08 ] ] "source-value" [ [ 4.586599299999999 9.000428899999998 -3.7741614999999995 ] [ -1.6022605999999997 -17.110356899999996 0.38779509999999995 ] [ -3.2943189999999998 10.299819799999998 1.1228421999999998 ] [ 0.7356814999999999 -3.9253900999999995 0.6542486999999999 ] [ -2.7784939999999994 0.007411699999999999 -4.062990999999999 ] [ 0.005191999999999999 -0.9690878999999999 5.803316599999999 ] [ 5.871773899999999 8.506586299999999 -9.152937099999999 ] [ -3.5241730999999996 -5.8094117999999995 9.021886999999998 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.858809706793736e-18 "source-value" -24.084796 } }