{ "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" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6362954 2.8281417 -1.1035361 ] [ -0.5332667 -0.3191768 -0.6330515 ] [ 0.2421912 0.1511214 -0.6182648 ] [ -0.0632444 -0.1400619 -1.0127629 ] [ 0.9539985 -0.1969878 0.3699124 ] [ 0.9187332 -2.6108475 -1.4855018 ] [ -0.8484113 1.2263047 2.2607092 ] [ -2.3062959 -0.9384938 2.2224954 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.621634234602585e-09 4.531182512049568e-09 -1.768059739628811e-09 ] [ -8.543874393911673e-10 -5.113776068617575e-10 -1.014260313062371e-09 ] [ 3.88033078403497e-10 2.421231739825651e-10 -9.905694080235877e-10 ] [ -1.013286990765235e-10 -2.244039016448275e-10 -1.622625040793608e-09 ] [ 1.528474092978269e-09 -3.156092477428262e-10 5.926649990240179e-10 ] [ 1.471972853792771e-09 -4.183038824974129e-09 -2.380036254116318e-09 ] [ -1.359304749682535e-09 1.964756720317158e-09 3.622055426667472e-09 ] [ -3.695093371626895e-09 -1.503632825125751e-09 3.560830169715545e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.1983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.799606997270465e-18 } }