{ "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" [ [ -0.7182822999999999 -0.023158799999999997 0.27583799999999997 ] [ 1.1030163999999998 0.8338586999999998 -1.9309937999999998 ] [ -2.2728093999999994 0.41787109999999994 -1.1419873999999999 ] [ 0.42602529999999994 1.6004565999999998 0.18786899999999998 ] [ 0.17518039999999996 0.26288069999999997 1.5343594999999999 ] [ -0.5661642999999998 -0.29903769999999996 -0.24332209999999999 ] [ 0.8537060999999999 -1.8123652999999997 1.5747786999999998 ] [ 0.9993276999999999 -0.9805050999999999 -0.25654209999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.150815117675778e-09 -3.710448823147918e-11 4.419411983692919e-10 ] [ 1.767227102998797e-09 1.335988925197615e-09 -3.093793146758869e-09 ] [ -3.641442114215558e-09 6.695033124438772e-10 -1.829665528602411e-09 ] [ 6.825677811528401e-10 2.564214168251084e-09 3.009993220529459e-10 ] [ 2.806699436147735e-10 4.211813150695637e-10 2.458314939055922e-09 ] [ -9.070952124649658e-10 -4.791112156251017e-10 -3.898449831558114e-10 ] [ 1.367787965723267e-09 -2.9037293359324e-09 2.523073636860895e-09 ] [ 1.601099490648962e-09 -1.570942360737833e-09 -4.110257582572913e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.883146 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.749113807561057e-18 } }