{ "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" [ [ -0.5428256999999999 -0.18186369999999996 0.17101399999999997 ] [ 0.7054436999999999 0.6400790999999999 -1.7913745999999997 ] [ -2.2458068999999994 0.029337699999999998 -1.0923590999999997 ] [ 0.41155899999999995 2.1914947999999996 -0.0027175999999999997 ] [ 0.28485949999999993 0.26374109999999995 1.6168398999999998 ] [ -0.7088180999999999 -0.2508428999999999 -0.05472919999999999 ] [ 1.0524251999999998 -1.6775971999999997 1.6569504999999998 ] [ 1.0431632999999998 -1.0143488999999999 -0.5036239999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.697026457093944e-10 -2.913777683121849e-10 2.739946326294912e-10 ] [ 1.130245403430649e-09 1.025519769482705e-09 -2.870098503214951e-09 ] [ -3.598179310011323e-09 4.700417704804416e-11 -1.750152211538129e-09 ] [ 6.593902078798271e-10 3.511161733164771e-09 -4.35407518468608e-12 ] [ 4.563952311127775e-10 4.225598243640748e-10 2.59046308735661e-09 ] [ -1.135651788219876e-09 -4.018946298736722e-10 -8.768584471508735e-11 ] [ 1.686171050580764e-09 -2.687807012959541e-09 2.65472735292287e-09 ] [ 1.671331850936577e-09 -1.625166092914197e-09 -8.06894598473779e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.110629 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.785560554618249e-18 } }