{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] "source-value" [ 5.05932 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] "source-value" [ 0.224512 5.44129 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] "source-value" [ 0.327401 0.688972 5.24092 ] } "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" [ [ 1.093734169464016e-08 4.272244173996382e-09 -4.327551150728736e-10 ] [ -6.525022903693459e-10 -1.589500359593892e-09 6.16660061272494e-09 ] [ 8.854493662569016e-09 8.491426180923814e-09 -1.135992619252419e-08 ] [ -1.663131959056621e-08 1.38969284912686e-08 -8.978208614262008e-09 ] [ 2.911308728949197e-10 1.388516595138933e-09 -2.601837580058317e-09 ] [ -8.956378477150622e-09 -8.201237708317248e-09 2.518969160006651e-09 ] [ 1.358932355770562e-08 -1.015281508396937e-08 8.062233505567289e-09 ] [ -7.432089269505882e-09 -8.105562289447218e-09 6.624924383836175e-09 ] ] "source-value" [ [ 6.8265518 2.6665251 -0.2701045 ] [ -0.4072599 -0.9920881 3.8488894 ] [ 5.5265403 5.2999314 -7.0903083 ] [ -10.3804533 8.6737806 -5.6037571 ] [ 0.1817096 0.8666439 -1.6239393 ] [ -5.5901318 -5.11881 1.5722169 ] [ 8.4817887 -6.3368888 5.0320504 ] [ -4.6387453 -5.0590941 4.1349526 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.750804737738339e-18 "source-value" -23.410682 } }