{ "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" [ 5.3952 0 0 ] "si-unit" "m" "si-value" [ 5.3952e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00461172 5.6034 0 ] "si-unit" "m" "si-value" [ 4.61172e-13 5.6034e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.071329 0.0469434 5.27588 ] "si-unit" "m" "si-value" [ 7.132900000000001e-12 4.694340000000001e-12 5.27588e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0148313 -0.0405976 0.0741579 ] [ 1.40662 1.33729 1.44565 ] [ 0.021393 2.68696 2.73819 ] [ 1.3197 4.02815 4.06112 ] [ 2.69728 0.0386556 2.72588 ] [ 4.00631 1.34667 3.9586 ] [ 2.7243 2.85873 -0.0805011 ] [ 4.14392 4.06243 1.15826 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.48313e-12 -4.05976e-12 7.41579e-12 ] [ 1.40662e-10 1.33729e-10 1.44565e-10 ] [ 2.1393e-12 2.68696e-10 2.73819e-10 ] [ 1.3197e-10 4.02815e-10 4.06112e-10 ] [ 2.69728e-10 3.86556e-12 2.72588e-10 ] [ 4.00631e-10 1.34667e-10 3.9586e-10 ] [ 2.7243e-10 2.85873e-10 -8.050110000000001e-12 ] [ 4.14392e-10 4.06243e-10 1.15826e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6499727000000001 0.5167384000000002 -0.8102255000000003 ] [ -0.34045240000000004 0.7032659000000001 -1.3855695000000001 ] [ -0.4160152000000001 0.4442599000000001 -1.0793759000000003 ] [ -0.4143565000000001 2.5691302000000005 -0.8715400000000002 ] [ 0.13023760000000004 -2.7560224000000004 -0.6496154000000001 ] [ 0.8871785000000002 0.18150210000000003 0.9364184000000002 ] [ -0.08414570000000002 -2.4143538000000007 1.2435951000000003 ] [ -0.4124189000000001 0.7554796000000003 2.6163128000000007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.041371064098252e-09 8.279061835495989e-10 -1.298124353675991e-09 ] [ -5.4546487577525e-10 1.126756183185871e-09 -2.219927059393545e-09 ] [ -6.665298273374363e-10 7.117828253389461e-10 -1.729350832034959e-09 ] [ -6.638722969765154e-10 4.116200342231228e-09 -1.396361012092032e-09 ] [ 2.086636378691021e-10 -4.415634655681106e-09 -1.04079860639164e-09 ] [ 1.421416651176413e-09 2.907984212461037e-10 1.500307667766943e-09 ] [ -1.348162732808506e-10 -3.86822121269964e-09 1.992458994961439e-09 ] [ -6.607679195560533e-10 1.210411752611336e-09 4.191795200859788e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.697448 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.719361660782373e-18 } }