{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.8810493 9.4534323 -19.5998645 ] [ -1.2682011 1.7301919 4.9335838 ] [ 3.6382433 -2.2958113 -6.4829533 ] [ -1.4345069 0.5295213 8.4719775 ] [ 1.3956061 -3.1766809 -6.4056349 ] [ 8.4948485 -11.621734 21.3596055 ] [ 0.0008229 1.8276263 -2.7872511 ] [ -1.9457634 3.5534544 0.5105369 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.422900967386206e-08 1.514606834216088e-08 -3.140244493146609e-08 ] [ -2.031882169633097e-09 2.772073034516064e-09 7.904472686240928e-09 ] [ 5.829108404067051e-09 -3.678295220933164e-09 -1.038683629657319e-08 ] [ -2.298333436491774e-09 8.48386654065304e-10 1.357360439427373e-08 ] [ 2.236007483687867e-09 -5.08960391165409e-09 -1.026295856271493e-08 ] [ 1.361024777606995e-08 -1.862007066136335e-08 3.422186084355788e-08 ] [ 1.3184311521186e-12 2.928180153543874e-09 -4.465668585510797e-09 ] [ -3.117456654772395e-09 5.69326160966449e-09 8.179702919747945e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.328598 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.058088788757913e-18 } }