{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9893457 0.2084138 1.3213653 ] [ -0.7882462 1.1170847 -2.3110147 ] [ -1.167771 -0.5584391 -0.7110851 ] [ 1.0758693 -1.5455315 0.4060861 ] [ 1.7660805 -0.7873222 0.018222 ] [ -1.9310534 1.1982942 0.3502425 ] [ -1.6191898 -1.3576473 -0.6781926 ] [ 1.6749649 1.7251474 1.6043765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.58510655042901e-09 3.33915717812087e-10 2.117060591196378e-09 ] [ -1.262909633074441e-09 1.789766989793382e-09 -3.702653722665126e-09 ] [ -1.870975394648236e-09 -8.947180701605933e-10 -1.13928392261923e-09 ] [ 1.723732639496461e-09 -2.476214436009955e-09 6.506216554518508e-10 ] [ 2.829572887550774e-09 -1.261429221876822e-09 2.91948623842176e-11 ] [ -3.09388861099635e-09 1.91987895208024e-09 5.611503451105441e-10 ] [ -2.594228042197828e-09 -2.175190763352244e-09 -1.086584328119566e-09 ] [ 2.68358960344061e-09 2.763990831713906e-09 2.570494519260932e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -219.69923 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.51996969913762e-17 } }