{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43103e-10 0.0 0.0 ] "source-value" [ 5.43103 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] "source-value" [ 0.00138287 5.43667 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] "source-value" [ -0.0279747 -0.147199 5.47761 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.705722091449062e-09 3.719396949005472e-10 -4.05665801160179e-09 ] [ 1.218505788681955e-09 2.979003895531239e-09 -6.968410863910272e-10 ] [ 1.585221907145708e-09 -2.224039045690829e-10 1.372698145144113e-09 ] [ 1.277053648282863e-09 -2.768964949250842e-10 8.03801916942649e-10 ] [ 7.052481877733511e-10 -1.119248383540802e-09 3.421340827884806e-09 ] [ -7.784043733673895e-10 -2.591696763354626e-09 -1.527116728945127e-09 ] [ -3.493930323608068e-09 9.80095498800432e-10 -6.328253184186528e-10 ] [ -2.219416766139821e-09 -1.207933826249607e-10 1.315600415602691e-09 ] ] "source-value" [ [ 1.064628 0.2321465 -2.5319668 ] [ 0.7605315 1.859348 -0.434934 ] [ 0.9894177 -0.1388136 0.8567708 ] [ 0.7970742 -0.1728252 0.5016937 ] [ 0.4401813 -0.6985799 2.135433 ] [ -0.4858418 -1.6176099 -0.9531513 ] [ -2.1807398 0.6117275 -0.3949785 ] [ -1.385251 -0.0753933 0.8211332 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.766574761661769e-18 "source-value" -35.992129 } }