{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4985754 0.6030752 2.5832959 ] [ -0.1837123 0.1112667 -0.5607464 ] [ 1.0763531 -0.4744689 0.2161936 ] [ 2.970922 -2.7906177 -2.1340971 ] [ -2.50168 1.4010638 3.0224767 ] [ -0.8358804 1.0668081 0.7435356 ] [ -0.3223751 0.4432138 -1.1519139 ] [ 2.294948 -0.3603412 -2.7187444 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.003159091186008e-09 9.662329860242844e-10 4.138896295588495e-09 ] [ -2.943395520133958e-10 1.782689054135674e-10 -8.984147722777651e-10 ] [ 1.724507772545604e-09 -7.601829788766932e-10 3.463803314865869e-10 ] [ 4.759941770620377e-09 -4.471062436530668e-09 -3.41920048013708e-09 ] [ -4.008133208722943e-09 2.244751664609207e-09 4.842541505652736e-09 ] [ -1.339228034664952e-09 1.709214996700069e-09 1.1912753550525e-09 ] [ -5.165018483480621e-10 7.10106788375927e-10 -1.845569519754549e-09 ] [ 3.676912031551719e-09 -5.77330246151017e-10 -4.355908715610923e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.185198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.637290163381892e-18 } }