{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2590974 1.8151653 -0.3475439 ] [ -0.9792173 0.7029298 -0.3323247 ] [ 1.5200809 1.5855196 -1.4144404 ] [ -0.5130351 0.7105218 -2.5382155 ] [ 0.3097579 -0.9924538 1.4848614 ] [ -1.4601069 -1.3283718 2.0106492 ] [ 2.4760989 -1.1753436 1.0909851 ] [ -1.6126757 -1.3179672 0.0460287 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.151197967900659e-10 2.908215406547418e-09 -5.568267112816532e-10 ] [ -1.5688790647429e-09 1.12621769162362e-09 -5.324428648543737e-10 ] [ 2.435438079704623e-09 2.540282434940168e-09 -2.266183340395e-09 ] [ -8.219728428697901e-10 1.138381416528734e-09 -4.066669532652183e-09 ] [ 4.962868654881043e-10 -1.590086275584119e-09 2.379010220208357e-09 ] [ -2.339349139048764e-09 -2.128286241690014e-09 3.221415140870223e-09 ] [ 3.967147768368598e-09 -1.883108037326907e-09 1.74795082086115e-09 ] [ -2.583791303472275e-09 -2.111616234821238e-09 7.374610702581695e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -21.625696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.464818453972808e-18 } }