{ "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" [ [ 0.7676148000000003 -3.1491743000000008 1.5822957000000004 ] [ -1.4402444000000003 1.1882343000000002 1.7643158000000005 ] [ 0.4583144000000001 0.7530790000000003 -2.8765981000000003 ] [ -1.5357363000000004 4.3499715000000005 -3.2590850000000007 ] [ -0.7317552000000002 -0.5478126000000001 1.6170093000000005 ] [ -4.735217300000001 1.2918712000000003 0.06471870000000002 ] [ 1.1911678000000003 -6.6962806000000015 -2.8269102000000004 ] [ 6.025856100000002 2.8101115000000005 3.934254000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.229854496472583e-09 -5.045533479853308e-09 2.535117198618674e-09 ] [ -2.30752592492935e-09 1.903761231177346e-09 2.826745549757018e-09 ] [ 7.343006227057297e-10 1.206565577356086e-09 -4.608818261228795e-09 ] [ -2.460520815845614e-09 6.969422695865931e-09 -5.221629835219891e-09 ] [ -1.172401083247997e-09 -8.776925475307885e-10 2.590734517420697e-09 ] [ -7.586654514972569e-09 2.069805850777541e-09 1.036907889228558e-10 ] [ 1.908461216333186e-09 -1.07286243120275e-08 -4.529209468856267e-09 ] [ 9.65448584326637e-09 4.502294984234691e-09 6.303369831021037e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.159618 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.633191841996581e-18 } }