{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4884144 -3.5126446 0.9023029 ] [ -1.0890236 1.7873744 3.3403568 ] [ 3.0472232 0.345617 -1.4460618 ] [ -1.7240519 -0.3184184 -1.1971084 ] [ 1.3280456 0.9380274 -0.122213 ] [ -5.0666535 2.2208394 -4.5322541 ] [ 3.5382482 0.77456 1.5200053 ] [ -2.5222024 -2.2353552 1.5349723 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.986879374542059e-09 -5.627877055299368e-09 1.44564861126004e-09 ] [ -1.744808151419451e-09 2.863689476296428e-09 5.351841570090301e-09 ] [ 4.882189769399363e-09 5.537394771510336e-10 -2.316846408191966e-09 ] [ -2.762235647225819e-09 -5.101625161125427e-10 -1.917979091043295e-09 ] [ 2.127763611676309e-09 1.50288556994981e-09 -1.958068113578304e-10 ] [ -8.117673783394492e-09 3.5581769652315e-09 -7.261471558544946e-09 ] [ 5.668898544627683e-09 1.240981923406848e-09 2.43531695515209e-09 ] [ -4.04101371820565e-09 -3.581433840623708e-09 2.459296732635604e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.258796 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.726469917915656e-18 } }