{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47211e-10 0.0 0.0 ] "source-value" [ 5.47211 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] "source-value" [ 0.102197 5.35978 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] "source-value" [ 0.0185088 0.0167086 5.27242 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.892198787473326e-09 -1.582797012830127e-09 -2.214621611731429e-09 ] [ 3.408321060011199e-09 1.585899467638645e-09 2.25151413169028e-09 ] [ -1.137650503554324e-09 2.420997661821353e-09 -2.21839762159133e-09 ] [ -1.224016475169197e-09 4.48375215602039e-10 7.855797213636423e-10 ] [ -1.912621091988015e-09 -1.791557582384788e-09 -4.438833692497304e-09 ] [ 3.549083811820149e-09 -1.064695871779183e-09 -1.620631933077333e-09 ] [ -1.880326658713198e-09 1.291741922889371e-09 5.746420020642753e-09 ] [ 1.089408805284374e-09 -1.307963640739648e-09 1.708971145418383e-09 ] ] "source-value" [ [ -1.1810176 -0.9879042 -1.3822581 ] [ 2.1273067 0.9898406 1.4052846 ] [ -0.7100656 1.5110679 -1.3846149 ] [ -0.763971 0.2798538 0.4903203 ] [ -1.1937642 -1.1182023 -2.7705021 ] [ 2.2151639 -0.6645309 -1.0115189 ] [ -1.1736076 0.8062419 3.5866333 ] [ 0.6799555 -0.8163667 1.0666559 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.692379564529141e-18 "source-value" -35.529039 } }