{ "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" [ [ -0.23316059999999997 -0.18745059999999997 -0.35539789999999993 ] [ 0.7614838999999999 1.3818511999999998 -2.5729357999999998 ] [ -3.1172436999999995 0.7967459999999998 -2.6076984999999997 ] [ -0.15717239999999996 2.8813720999999997 0.22186059999999996 ] [ 2.2965783999999996 0.9370122999999999 0.9320140999999998 ] [ -2.4277667999999997 -0.17460699999999998 1.3035223999999999 ] [ 1.1638732999999999 -2.7045034999999995 2.5252366999999993 ] [ 1.7134079999999998 -2.9304204999999994 0.5533983999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.735644652894203e-10 -3.003289713492803e-10 -5.694102111526684e-10 ] [ 1.220031711747192e-09 2.21396970430486e-09 -4.122297619542096e-09 ] [ -4.994375018623705e-09 1.276527824432964e-09 -4.177993605216848e-09 ] [ -2.518179467897015e-10 4.616467052479511e-09 3.554598693252203e-10 ] [ 3.679524250629104e-09 1.501259212830598e-09 1.493251213578539e-09 ] [ -3.88971123976095e-09 -2.79751255532838e-10 2.088473131175601e-09 ] [ 1.864730606196472e-09 -4.333092314271218e-09 4.045875236059266e-09 ] [ 2.745182262108672e-09 -4.695051252894595e-09 8.866419857729853e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -324.84879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.204651409211729e-17 } }