{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6803793000000001 1.7906887000000005 -1.4445431000000002 ] [ 0.6688329000000001 0.3879916000000001 0.5947134000000001 ] [ 1.5183621000000005 1.7797123000000004 -3.143393000000001 ] [ 1.0226789000000003 -0.16936030000000002 0.9445625000000002 ] [ -0.7558654000000002 -1.0144776000000002 -2.2497401000000004 ] [ -0.6647613000000001 -1.8054417000000005 3.445846800000001 ] [ -1.7437720000000005 -0.7817878000000003 -1.6321915000000005 ] [ -0.7258543000000001 -0.18732520000000003 3.484745100000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.09008780773627e-09 2.868999570270746e-09 -2.314413182557957e-09 ] [ 1.071588435601864e-09 6.216310705867854e-10 9.528359055564788e-10 ] [ 2.432684258528793e-09 2.851413438810196e-09 -5.036270774586376e-09 ] [ 1.638512224165462e-09 -2.713451131516742e-10 1.5133559543844e-09 ] [ -1.211029872351641e-09 -1.625372293045295e-09 -3.604480991096255e-09 ] [ -1.065065013272615e-09 -2.892636481957408e-09 5.520855181818494e-09 ] [ -2.793830730405659e-09 -1.252562135586667e-09 -2.615059061968484e-09 ] [ -1.162946789567149e-09 -3.001280559266842e-10 5.583177128667359e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.074246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.779731355418792e-18 } }