{ "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" [ [ -0.8173919999999999 -0.15701629999999997 0.25475339999999996 ] [ 1.6876130999999999 1.3229189999999997 -2.7776654999999995 ] [ -3.3061644999999995 0.7596346999999999 -1.7758253999999998 ] [ 0.5982122999999999 2.3036210999999995 0.06493579999999999 ] [ 0.24662679999999998 0.34215059999999997 2.2910302999999996 ] [ -0.9205916999999999 -0.39439959999999996 -0.36383619999999994 ] [ 0.8715157999999998 -2.6347982999999995 2.4612288999999996 ] [ 1.6401801999999999 -1.5421112999999997 -0.15462129999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.309606352428953e-09 -2.51567844944519e-10 4.081599415493106e-10 ] [ 2.703854253775812e-09 2.119549893012115e-09 -4.450310724502742e-09 ] [ -5.297059466418921e-09 1.217068956688422e-09 -2.845185938502808e-09 ] [ 9.584417613349957e-10 3.690807869601578e-09 1.040386206129446e-10 ] [ 3.951396930227174e-10 5.481856921126924e-10 3.670635184204409e-09 ] [ -1.474950499042527e-09 -6.318978183728716e-10 -5.829298534407129e-10 ] [ 1.396322239417808e-09 -4.221412236783584e-09 3.943323402017301e-09 ] [ 2.627858370339068e-09 -2.470734671531495e-09 -2.477306319377029e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.80554 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.736679908311924e-18 } }