{ "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" [ [ 1.6630573 -0.9233386 1.1693728 ] [ -1.7216093 0.0976599 0.3295568 ] [ 0.9044101 1.1185506 -0.0368106 ] [ -2.8906239 -0.7653679 -2.2234865 ] [ 0.6049361 0.1359201 2.585963 ] [ -2.1106984 2.4315487 -2.0815759 ] [ 1.5009 -1.9943887 0.0388122 ] [ 2.049628 -0.1005841 0.2181682 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.664511525110771e-09 -1.479351518002203e-09 1.873541761159434e-09 ] [ -2.758322170611853e-09 1.564684085696659e-10 5.280082001856615e-10 ] [ 1.44902471783539e-09 1.792115620501813e-09 -5.897708271762048e-11 ] [ -4.631290032105718e-09 -1.226254555690792e-09 -3.562418086964419e-09 ] [ 9.692144764979308e-10 2.177680065167981e-10 4.14316946085383e-09 ] [ -3.381711630039966e-09 3.895770479476633e-09 -3.335052241400719e-09 ] [ 2.40470689015872e-09 -3.195362947927705e-09 6.218399944181376e-11 ] [ 3.283866062937062e-09 -1.611534934442093e-10 3.495439894420186e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -219.81085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.521758048681757e-17 } }