{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.08350250000000001 -0.9078438000000002 0.4504960000000001 ] [ -0.6261415000000001 0.3955011000000001 0.8576645000000003 ] [ -0.014466800000000004 0.21408390000000005 -0.9212416000000002 ] [ -0.35753100000000004 1.4558247000000002 -1.2669820000000003 ] [ -0.25766390000000006 -0.21505280000000004 0.4259964000000001 ] [ -1.5531072000000004 0.29539000000000004 -0.09140950000000002 ] [ 0.6694254000000001 -1.8643952000000004 -0.8987608000000002 ] [ 2.0559827000000004 0.6264921000000001 1.4442371000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.33785753278352e-10 -1.454526111698231e-09 7.21774158963917e-10 ] [ -1.003189272612644e-09 6.336626159206831e-10 1.374130010390122e-09 ] [ -2.317836873778945e-11 3.430002194696853e-10 -1.475991753628386e-09 ] [ -5.728278094112448e-10 2.332488298323174e-09 -2.029928939374426e-09 ] [ -4.128230766041492e-10 -3.445525683975783e-10 6.825214726249653e-10 ] [ -2.48835204543615e-09 4.732669520181121e-10 -1.464541638190176e-10 ] [ 1.072537725249688e-09 -2.987090401371741e-09 -1.439973541451505e-09 ] [ 3.294047414709261e-09 1.003750995735896e-09 2.313922916511992e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.131772 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.788948036647605e-18 } }