{ "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" [ [ 4.3798594 -4.4796852 15.3860419 ] [ -10.5168183 12.2359585 -16.3211301 ] [ -5.9182225 -2.4851306 -3.7891588 ] [ 8.3618312 -1.0443367 2.5773719 ] [ 15.2771793 -13.3160113 9.285898 ] [ -9.2016955 10.1890892 -7.0430397 ] [ -19.0331253 -19.4501248 -16.6857793 ] [ 16.6509917 18.3502408 16.5897961 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.017308333071116e-09 -7.177246895983771e-09 2.465115661882921e-08 ] [ -1.68498004054616e-08 1.960416664177904e-08 -2.614933307125517e-08 ] [ -9.482037726192527e-09 -3.981618146954677e-09 -6.070901641858583e-09 ] [ 1.339713045571601e-08 -1.673211844983423e-09 4.129405001286876e-09 ] [ 2.447673950622971e-08 -2.133460198716862e-08 1.487764867873348e-08 ] [ -1.474274140182057e-08 1.632472050348577e-08 -1.128419354670624e-08 ] [ -3.049442837641699e-08 -3.116253522620228e-08 -2.673356549428859e-08 ] [ 2.667782961487485e-08 2.940032679581029e-08 2.657978345525902e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -31.693043 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.077785253660909e-18 } }