{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8913337 1.3491852 0.391135 ] [ 0.7703992 0.0923651 -1.5376758 ] [ 0.1409427 0.1986802 -0.9300708 ] [ 2.3788923 -0.4894655 0.3550075 ] [ -2.2994376 -0.3642851 0.2436377 ] [ 1.0998467 -1.2383073 3.1117005 ] [ -0.4585773 1.3591039 1.38925 ] [ 0.2592677 -0.9072766 -3.0229842 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.030250636271161e-09 2.161632984569372e-09 6.266673525766081e-10 ] [ 1.234315586923023e-09 1.479852037978541e-10 -2.463628217129936e-09 ] [ 2.258150988124282e-10 3.183207714558682e-10 -1.490137691448753e-09 ] [ 3.81140562646114e-09 -7.842101807881824e-10 5.687847167086559e-10 ] [ -3.684105163708462e-09 -5.836490705257901e-10 3.903506268854842e-10 ] [ 1.762148669204031e-09 -1.983987005425972e-09 4.985493792031671e-09 ] [ -7.347218288895879e-10 2.177524493818101e-09 2.2258238704464e-09 ] [ 4.153926474685881e-10 -1.453617357118913e-09 -4.843354610287791e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.467555 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.842746403873814e-18 } }