{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.211624900000001 0.21858780000000005 0.8273655000000002 ] [ -1.2476395000000002 -0.7922950000000002 -0.5677666000000001 ] [ 1.0616226000000002 0.6677299000000001 -0.5055728000000002 ] [ -2.6148802000000004 -1.0678567000000003 0.9148877000000002 ] [ 2.4255335000000002 1.3371197000000001 -1.3003976000000002 ] [ -1.8410031000000004 0.3778820000000001 -1.0865296000000002 ] [ 0.06521650000000001 -0.7448868000000001 -0.08094640000000002 ] [ -1.0604747000000003 0.0037190999999999956 1.7989599000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.14559032955914e-09 3.502162627521064e-10 1.325585660956503e-09 ] [ -1.998938838086602e-09 -1.269396525776736e-09 -9.096623725911055e-10 ] [ 1.700906909832911e-09 1.069821234789122e-09 -8.100169202723945e-10 ] [ -4.189499922632829e-09 -1.71089503910464e-09 1.465811683597485e-09 ] [ 3.886133066667197e-09 2.14230192255111e-09 -2.08346663246443e-09 ] [ -2.949612125640325e-09 6.054337058211458e-10 -1.740812322927176e-09 ] [ 1.044883515904032e-10 -1.193440216102526e-09 -1.296904296179251e-10 ] [ -1.699067771289894e-09 5.958655070417273e-12 2.882251493536707e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.951890038775918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.715992189849918e-18 } }