{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.24169099999999996 10.838640999999999 -3.0201247999999996 ] [ -0.22570169999999998 -9.884778099999998 -1.0103812999999997 ] [ -4.765590199999999 7.021191299999999 3.3180635999999994 ] [ -2.3275325999999996 -4.314116599999999 1.2015269999999998 ] [ -1.1689680999999998 2.3544776999999995 -5.128870399999999 ] [ -1.5206406999999997 -0.8499797999999998 10.858095299999999 ] [ 14.082903399999998 5.391345599999999 -9.127174399999998 ] [ -3.8327789999999995 -10.556781099999998 2.9088649999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.872316696577727e-10 1.736541721144433e-08 -4.838773346458276e-09 ] [ -3.616139870148153e-10 -1.583716037361584e-08 -1.618809296953511e-09 ] [ -7.635317202753595e-09 1.124918855102436e-08 5.316123926247482e-09 ] [ -3.729118315869838e-09 -6.911976755925184e-09 1.925058468659961e-09 ] [ -1.872893360280996e-09 3.772289125134955e-09 -8.217356245993144e-09 ] [ -2.436334978176946e-09 -1.36181776371226e-09 1.739658643607836e-08 ] [ 2.256329858046483e-08 8.637887874972947e-09 -1.462334543764426e-08 ] [ -6.140788906493202e-09 -1.691382786932331e-08 4.660515496063391e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.618045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.303374966560234e-18 } }