{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9068612999999999 0.022791399999999996 0.32366819999999996 ] [ 1.5451451999999999 1.0405660999999997 -2.4871356999999996 ] [ -3.1676253999999995 0.35406059999999995 -1.5967596999999998 ] [ 0.6818135999999999 2.2284983999999994 0.21619889999999997 ] [ 0.18653959999999997 0.23199999999999998 2.1600688999999997 ] [ -0.7324769999999999 -0.2765717999999999 -0.5074628999999999 ] [ 1.1718719999999998 -2.5000701999999997 2.3559464999999995 ] [ 1.2215932999999999 -1.1012744999999997 -0.46452419999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.452951973168295e-09 3.651584823530112e-11 5.185736229364186e-10 ] [ 2.47559551518134e-09 1.667170677817034e-09 -3.984830671297042e-09 ] [ -5.075095359332247e-09 5.672676156664204e-10 -2.558291060375622e-09 ] [ 1.092385809663483e-09 3.570448035970206e-09 3.46388823022677e-10 ] [ 2.988693859733836e-10 3.717049760256e-10 3.460811890897173e-09 ] [ -1.173557524673721e-09 -4.431168719325733e-10 -8.130451943033682e-10 ] [ 1.877545920970137e-09 -4.00555402479878e-09 3.774642402155586e-09 ] [ 1.95720822538592e-09 -1.764436256983209e-09 -7.442498130358232e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.820485 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.739074361271709e-18 } }