{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "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" [ [ -6.689670584129971e-10 6.975995568033139e-10 2.604478127347058e-09 ] [ -2.392275922193257e-09 -1.226401635504582e-09 6.005606856289824e-10 ] [ -4.537011711249024e-11 -3.89825593606848e-10 -8.995278043762349e-10 ] [ 1.264994385293426e-09 4.851105620343898e-10 -8.746746804167232e-11 ] [ -2.37334348171825e-09 -6.993021898982382e-10 2.086130090878848e-11 ] [ 2.268310550294437e-09 -8.352000926157907e-10 2.322845277895565e-10 ] [ -5.474478897788141e-10 6.480671450476475e-10 -1.99993234780916e-09 ] [ 2.494099533627946e-09 1.319952247740107e-09 -4.712573418826426e-10 ] ] "source-value" [ [ -0.4175364000000001 0.4354074000000001 1.6255874000000003 ] [ -1.4931412000000002 -0.7654597000000002 0.3748405000000001 ] [ -0.028317800000000008 -0.24331000000000005 -0.5614411000000001 ] [ 0.7895474000000002 0.30278220000000006 -0.054592900000000014 ] [ -1.4813245000000002 -0.43647010000000014 0.013020600000000004 ] [ 1.4157681000000002 -0.5212909000000001 0.14498060000000002 ] [ -0.34169010000000005 0.4044917000000001 -1.2482596000000001 ] [ 1.5566945000000005 0.8238494000000002 -0.29413570000000006 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.832162104681486e-18 "source-value" -36.401493 } }