{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.54692e-10 0.0 0.0 ] "source-value" [ 5.54692 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] "source-value" [ 0.123956 5.52099 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] "source-value" [ 0.202669 -0.109883 5.46638 ] } "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" [ [ -3.064385169394967e-09 3.525974176459392e-10 -5.49544337887131e-10 ] [ 3.191623948347744e-10 3.49771178086848e-12 3.623815097250096e-09 ] [ -3.665241777045811e-10 4.592100952178611e-10 -7.396911398966611e-10 ] [ -2.135018908285939e-10 -1.747046712594033e-09 -3.036387293164149e-09 ] [ -3.052750803645366e-09 8.597050635956026e-10 1.002712625067955e-09 ] [ 6.28926886243156e-09 -2.096381938422361e-09 -1.837467633018488e-09 ] [ -2.164913761635785e-09 4.323099182552519e-09 2.558430129306307e-09 ] [ 2.253644385725295e-09 -2.154680499341073e-09 -1.021867287440268e-09 ] ] "source-value" [ [ -1.9126388 0.220074 -0.3429986 ] [ 0.1992055 0.0021831 2.2618075 ] [ -0.2287664 0.2866164 -0.4616789 ] [ -0.1332574 -1.0904208 -1.8951639 ] [ -1.9053772 0.5365857 0.625844 ] [ 3.9254529 -1.3084587 -1.1468571 ] [ -1.3512329 2.6982663 1.5968465 ] [ 1.4066142 -1.3448458 -0.6377994 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.70904444443273e-18 "source-value" -35.633053 } }