{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "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" [ [ 8.259705138651794e-09 -1.103174754875587e-08 3.531354926422687e-09 ] [ -5.632868316126147e-09 7.863061001782144e-09 1.215486086295902e-08 ] [ 9.901190682190133e-09 -1.934991162620611e-09 -6.656611431954046e-09 ] [ -4.766271810231496e-09 -5.515480199691033e-10 -3.546095592204695e-09 ] [ 3.315980411559702e-09 1.611019994876168e-09 -9.048447877100217e-10 ] [ -1.432587298946656e-08 7.884476816019391e-09 -1.174828515365236e-08 ] [ 8.805648584583675e-09 1.171669519743771e-09 2.93233217013201e-09 ] [ -5.557511861378763e-09 -5.01194044085823e-09 4.23728884578974e-09 ] ] "source-value" [ [ 5.1553025 -6.8854753 2.2040984 ] [ -3.5157599 4.9077367 7.5864675 ] [ 6.1798372 -1.2077265 -4.1547301 ] [ -2.9748729 -0.3442492 -2.2132988 ] [ 2.0696722 1.0055196 -0.5647597 ] [ -8.9415067 4.9211034 -7.3327029 ] [ 5.4960536 0.7312986 1.8302178 ] [ -3.4687261 -3.1282072 2.6447077 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.854888199127945e-18 "source-value" -30.301829 } }