{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.18137169999999997 -0.8250056999999998 1.2525016999999998 ] [ 0.8828636999999999 -1.5525181999999997 -3.0046085999999996 ] [ -0.31547879999999995 0.5569488999999999 2.9837596999999993 ] [ -0.7387288999999999 0.47159999999999996 -0.37211179999999994 ] [ -1.1198099999999998 -2.8261289999999994 -2.3951777999999995 ] [ 2.4480121999999995 3.0899292999999997 2.0432459999999995 ] [ -0.18369949999999996 -1.3912199999999997 0.5927789999999998 ] [ -0.7917869999999999 2.4763945999999994 -1.1003881999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.905894974147513e-10 -1.321804844566738e-09 2.006728941252255e-09 ] [ 1.414503579492985e-09 -2.487408363406498e-09 -4.813913653574618e-09 ] [ -5.05452757718039e-10 8.923305065602769e-10 4.780510033425221e-09 ] [ -1.183574172689301e-09 7.555864943692799e-10 -5.961888262838053e-10 ] [ -1.794133401738048e-09 -4.527957811164883e-09 -3.837497873819178e-09 ] [ 3.922147914273173e-09 4.950612484384908e-09 3.273640971743116e-09 ] [ -2.943190441526496e-10 -2.228980158389376e-09 9.49736655101203e-10 ] [ -1.268582620053369e-09 3.967621531995367e-09 -1.763016247844194e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.831526 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.740843324478734e-18 } }