{ "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" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 35.127911100000006 36.05086630000001 -25.186223800000008 ] [ 2.8728307000000006 0.7864088000000002 1.1879888000000003 ] [ 46.01129190000001 34.85302660000001 -25.129502200000008 ] [ -10.650830000000001 8.745213100000003 -13.487573400000004 ] [ -23.570298900000004 18.836992600000002 31.460038600000008 ] [ -30.775056600000006 -43.845921600000004 14.853226800000003 ] [ -3.983615800000001 -5.772951700000001 17.681416000000002 ] [ -15.032232300000004 -49.65363410000001 -1.3793707000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.628111836564924e-08 5.775985562131804e-08 -4.03527792710547e-08 ] [ 4.602782220977864e-09 1.259965804131979e-09 1.903367896813699e-09 ] [ 7.371821678233348e-08 5.584070484270047e-08 -4.02619012488916e-08 ] [ -1.706451095870622e-08 1.401137608817071e-08 -2.160947495083994e-08 ] [ -3.77637821539759e-08 3.018018939855091e-08 5.040453874965808e-08 ] [ -4.930707659454749e-08 -7.02489110837159e-08 2.379749291846259e-08 ] [ -6.382456153593217e-09 -9.249288322950578e-09 2.832875157123374e-08 ] [ -2.408429134792008e-08 -7.955389234820564e-08 -2.209995505164224e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 4.169669 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.680546243314145e-19 } }