{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] "source-value" [ 5.54387 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] "source-value" [ 0.0557634 5.4256 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] "source-value" [ -0.136783 0.0146252 5.57946 ] } "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" [ [ 4.515074708957031e-10 -1.8968816293006e-09 6.770111065730477e-10 ] [ -1.311193789024842e-09 8.91713348125945e-10 1.865002480205894e-09 ] [ 1.866888242088576e-10 2.241345757548711e-10 -1.551373682984039e-09 ] [ -9.368357687328596e-10 3.237797717253228e-09 -2.490878357531827e-09 ] [ -6.218154811158394e-10 -4.597732603000723e-10 8.232438495830707e-10 ] [ -3.026755487972886e-09 2.117909264152416e-10 -2.605164820246733e-10 ] [ 1.130400654345205e-09 -3.734097720589623e-09 -2.276862808878605e-09 ] [ 4.128003577396662e-09 1.52531604264101e-09 3.214373895057132e-09 ] ] "source-value" [ [ 0.2818088000000001 -1.1839404000000002 0.42255710000000013 ] [ -0.8183828000000002 0.5565637000000001 1.1640430000000002 ] [ 0.11652200000000003 0.13989380000000004 -0.9682913000000002 ] [ -0.5847269000000002 2.0208744000000003 -1.5546840000000004 ] [ -0.38810670000000014 -0.28696790000000005 0.5138284000000001 ] [ -1.8891522000000005 0.13218950000000002 -0.16260160000000004 ] [ 0.7055406000000001 -2.3306405000000003 -1.4211060000000002 ] [ 2.5764972000000004 0.9520274000000002 2.0062544000000004 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.779086959981906e-18 "source-value" -36.070224 } }