{ "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" [ [ -0.8412597999999999 -0.10449389999999999 0.3356797999999999 ] [ 1.3097325999999998 0.9549723999999999 -2.3744056999999996 ] [ -2.9958224999999996 0.26834559999999996 -1.4726232999999997 ] [ 0.6256353999999998 2.2983995999999998 0.16467789999999996 ] [ 0.10242849999999999 0.28156519999999996 2.1996721999999997 ] [ -0.7179398999999999 -0.29589229999999994 -0.41481989999999996 ] [ 1.3987495999999997 -2.2792762999999994 2.1760242999999995 ] [ 1.1184761999999997 -1.1236203999999999 -0.6142053999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.347846783578884e-09 -1.674176835962131e-10 5.378183276348197e-10 ] [ 2.098422951219598e-09 1.530034452789266e-09 -3.804217300834258e-09 ] [ -4.799836769566607e-09 4.299370466145484e-10 -2.359402622505344e-09 ] [ 1.002378411024856e-09 3.682442104376071e-09 2.638430813424403e-10 ] [ 1.641085480036128e-10 4.511171806708761e-10 3.524263372263701e-09 ] [ -1.15026652291949e-09 -4.740717253347398e-10 -6.646147456225939e-10 ] [ 2.241043907473351e-09 -3.651803200203526e-09 3.486375259752685e-09 ] [ 1.791996418561225e-09 -1.800238335533944e-09 -9.840655322491122e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.813708 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.737988566175793e-18 } }