{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4414754 -1.8581596 3.2986535 ] [ -2.2916595 1.4499829 -0.6562939 ] [ 1.1064795 0.9606065 2.0514914 ] [ -2.5685802 -0.4779551 -4.0559736 ] [ 0.6917105 0.768585 1.9432239 ] [ -2.0883311 1.8572634 -2.996599 ] [ 1.5595295 -1.632094 0.3614867 ] [ 2.1493758 -1.068229 0.0540109 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.309498185338328e-09 -2.97709986883508e-09 5.285025517820093e-09 ] [ -3.671643273734218e-09 2.323128702939785e-09 -1.051498742953653e-09 ] [ 1.772775586294474e-09 1.539061276088515e-09 3.286851558852262e-09 ] [ -4.115319145089788e-09 -7.657684870121262e-10 -6.498386076502011e-09 ] [ 1.108242391461878e-09 1.231408918097568e-09 3.113387901559797e-09 ] [ -3.345875264909547e-09 2.975663998147519e-09 -4.801080859712659e-09 ] [ 2.498641704347914e-09 -2.614902849747955e-09 5.791655394701434e-10 ] [ 3.443679656073297e-09 -1.711491529460564e-09 8.653500124836673e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -35.489549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.686052569053602e-18 } }