{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7661999999999999 -0.26127379999999994 0.20384419999999998 ] [ 2.0311631999999995 1.7884395999999998 -2.9594344999999995 ] [ -3.3759964999999994 1.4934186999999999 -2.1033355999999994 ] [ 0.6406937999999999 1.6459826999999998 0.08256359999999999 ] [ 0.36853089999999994 0.5436304999999999 2.3195049999999995 ] [ -1.1660609999999998 -0.4744691999999999 -0.3989425999999999 ] [ 0.30356759999999994 -2.7267853999999994 2.4398398999999995 ] [ 1.9643018999999997 -2.0089430999999998 0.41595999999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.22758772685696e-09 -4.186067739875749e-10 3.265944115256793e-10 ] [ 3.254282192069314e-09 2.865396114832904e-09 -4.741536766688936e-09 ] [ -5.408942664202626e-09 2.392720526205529e-09 -3.36991512401634e-09 ] [ 1.026504627451511e-09 2.63715500018126e-09 1.322814696490829e-10 ] [ 5.904515920223826e-10 8.709920774538143e-10 3.716256682828703e-09 ] [ -1.868235672626669e-09 -7.601834595296793e-10 -6.391765067611661e-10 ] [ 4.86368911552366e-10 -4.368791817818775e-09 3.909054446275009e-09 ] [ 3.147158580373019e-09 -3.218681667337477e-09 6.664413871879679e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.657758 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.713002621774417e-18 } }